data_2mkf_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 2mkf _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.34 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.629 0.252 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 117' ' ' SER . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 90.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.71 0.29 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.458 ' OG ' ' OD2' ' A' ' 125' ' ' ASP . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' OD2' ' A' ' 125' ' ' ASP . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.665 0.269 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' ' OG ' ' A' ' 117' ' ' SER . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 120' ' ' SER . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 93.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.869 0.366 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' A' ' 92' ' ' SER . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 93' ' ' GLU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.44 ' O ' ' OG ' ' A' ' 117' ' ' SER . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 83.1 p . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.589 ' HG ' ' H ' ' A' ' 129' ' ' THR . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.589 ' H ' ' HG ' ' A' ' 127' ' ' SER . 73.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.77 0.319 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.666 0.27 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.4 m120 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.688 0.28 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.448 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.662 0.268 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' A' ' 117' ' ' SER . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.44 ' O ' ' OG ' ' A' ' 120' ' ' SER . 89.5 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.651 0.262 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 117' ' ' SER . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.872 0.368 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.676 0.274 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.724 0.297 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.813 0.34 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 114' ' ' ILE . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.844 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' HG ' ' A' ' 92' ' ' SER . 95.4 mt-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.727 0.298 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 92' ' ' SER . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.703 0.287 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.572 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.572 ' HG1' ' HG ' ' A' ' 127' ' ' SER . 84.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.722 0.296 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.481 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.481 ' HG1' ' HG ' ' A' ' 127' ' ' SER . 97.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.67 0.271 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.899 0.38 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 129' ' ' THR . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.651 ' H ' ' HG ' ' A' ' 127' ' ' SER . 63.6 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.894 0.378 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.412 ' O ' ' OG ' ' A' ' 117' ' ' SER . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.472 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 86.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.697 0.284 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.733 0.301 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 . . . . . 0 C--O 1.228 -0.044 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.403 ' O ' ' OG ' ' A' ' 117' ' ' SER . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 92.3 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.543 ' HG ' ' H ' ' A' ' 129' ' ' THR . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.543 ' H ' ' HG ' ' A' ' 127' ' ' SER . 59.2 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' OG ' ' A' ' 92' ' ' SER . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' C ' ' HZ2' ' A' ' 112' ' ' LYS . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HZ2' ' C ' ' A' ' 108' ' ' GLU . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.611 0.243 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.468 ' O ' ' OE1' ' A' ' 93' ' ' GLU . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.676 0.274 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.728 0.299 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.604 0.24 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' ' OG ' ' A' ' 92' ' ' SER . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.501 ' H ' ' NE ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.18 -38.48 87.93 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.873 2.382 . . . . 0.0 111.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.93 -60.85 0.21 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 150.24 100.91 0.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.4 p -69.59 -13.04 62.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 110.43 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.06 -29.38 68.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -96.5 -6.37 37.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.6 mt -86.84 124.36 40.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.462 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.59 133.04 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.093 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -84.42 148.03 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 79' ' ' MET . 2.2 mpt? -78.33 143.33 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -80.9 168.75 18.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.14 -39.97 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -39.4 94.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.8 -38.21 88.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 97' ' ' ARG . 80.4 mm-40 -92.68 2.12 56.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 72.67 -38.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 95' ' ' GLU . 0.7 OUTLIER -170.58 -66.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.267 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -151.26 -51.99 0.13 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.68 149.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -76.03 124.5 27.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.8 p -62.84 -23.41 67.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.613 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.89 -38.97 93.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.3 -40.99 98.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.51 96.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.85 -39.89 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -42.35 98.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 117' ' ' SER . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 90.9 p -62.43 -38.94 91.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.57 -37.49 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -76.91 -16.89 59.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t -86.39 134.19 33.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -71.37 142.66 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.49 149.83 69.13 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.641 2.227 . . . . 0.0 111.751 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.6 175.75 13.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.397 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.93 -175.85 45.17 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 -18.22 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.81 -13.04 54.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -83.0 -5.07 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 0.0 111.067 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.54 125.02 40.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.415 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.21 132.0 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.83 144.58 28.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -76.18 131.45 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -81.56 168.53 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.33 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -60.14 -38.47 83.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.997 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.38 -38.38 89.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.01 -36.38 83.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 76.1 mm-40 -73.09 -7.16 50.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 95' ' ' GLU . . . 78.46 26.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -60.63 -44.6 96.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.366 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -106.45 130.98 54.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.082 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.06 137.81 24.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.408 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 32.1 m120 -78.28 127.32 32.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.628 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.3 p -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.277 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.95 -40.66 98.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.464 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.27 -40.65 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.369 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -63.94 -40.95 97.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.06 -39.79 91.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.86 -39.07 93.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.704 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m -62.71 -40.37 96.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.44 -37.27 86.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.705 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.69 -13.37 59.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.458 ' OG ' ' OD2' ' A' ' 125' ' ' ASP . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' OD2' ' A' ' 125' ' ' ASP . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m -66.03 132.24 48.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -70.7 149.26 47.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.612 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.45 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.59 87.69 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.915 2.41 . . . . 0.0 111.944 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp 55.45 97.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.3 76.45 0.14 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 96.8 p -61.65 -25.34 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.443 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -69.85 -32.06 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.91 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -92.14 -11.54 35.36 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 111.277 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -89.75 124.44 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.641 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.51 158.49 20.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.26 132.85 48.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.513 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.79 131.82 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' A' ' 84' ' ' GLN . 55.5 p -81.8 168.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.193 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.071 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.432 ' H ' ' HG1' ' A' ' 80' ' ' THR . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.4 -38.98 88.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.657 ' NE2' ' NH1' ' A' ' 111' ' ' ARG . 88.2 mt-30 -65.52 -35.01 79.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.21 -10.89 60.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 73.39 38.92 0.62 Allowed 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.671 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -52.97 -41.61 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.932 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.64 9.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.121 0.486 . . . . 0.0 110.504 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.69 153.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -72.8 135.73 45.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.085 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -54.5 -31.57 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.155 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -62.54 -41.11 98.67 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 110.314 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.5 -37.32 87.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.45 -38.57 90.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.07 -44.7 96.99 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.564 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.41 -38.45 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.547 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.657 ' NH1' ' NE2' ' A' ' 94' ' ' GLN . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 ' O ' ' OG ' ' A' ' 117' ' ' SER . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 120' ' ' SER . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 93.9 p -64.33 -40.69 96.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.27 -35.63 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -75.14 -13.87 60.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.3 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m -89.53 130.44 35.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -70.44 133.41 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.698 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.494 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 51.2 Cg_exo -54.95 -38.46 93.0 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.667 2.245 . . . . 0.0 111.949 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -108.28 -31.11 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.77 170.5 37.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.1 m -73.41 -16.23 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -73.31 -13.67 61.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -85.06 -0.54 54.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.2 mm -86.48 124.22 40.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.14 164.88 26.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 26.8 mp0 -61.75 145.58 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mtp -76.15 130.86 38.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.685 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.3 p -82.27 169.21 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.78 -38.81 82.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' A' ' 92' ' ' SER . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -62.94 -40.24 97.05 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 22.6 mp0 -70.28 -31.26 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -73.37 -12.37 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.743 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 70.81 35.89 1.66 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 99' ' ' VAL . 63.1 ttp180 -82.67 -91.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.85 -1.18 3.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' H ' ' C ' ' A' ' 97' ' ' ARG . 27.4 t -64.82 154.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -70.12 128.06 34.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.403 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.3 p -58.65 -16.19 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.093 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.97 -29.71 67.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.084 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.8 -43.2 98.45 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.46 -40.3 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.6 -36.55 82.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.17 -44.81 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.221 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.52 -40.44 97.03 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.453 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m -61.3 -39.8 91.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.73 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -75.95 -17.21 59.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p -84.05 155.24 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -80.81 142.77 33.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.698 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.0 -24.2 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.775 2.316 . . . . 0.0 111.95 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.459 ' CG ' ' H ' ' A' ' -1' ' ' GLY . 4.7 tp 45.94 -142.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.451 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.459 ' H ' ' CG ' ' A' ' -2' ' ' LEU . . . 86.11 99.67 0.76 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 98.7 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.353 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -62.74 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -85.88 -8.37 58.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.149 0.5 . . . . 0.0 110.892 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -88.83 124.53 41.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.265 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.99 122.75 20.58 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.65 135.41 33.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -77.16 147.08 36.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' A' ' 84' ' ' GLN . 72.0 p -81.16 165.34 21.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.505 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.94 -43.25 98.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' H ' ' HG1' ' A' ' 80' ' ' THR . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 93' ' ' GLU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -65.21 -38.71 91.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.82 -38.37 90.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -89.36 -11.29 43.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 71.12 -49.33 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -145.13 -164.12 1.86 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.01 -39.37 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.97 152.6 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.74 126.15 30.45 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.056 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.0 p -62.87 -32.08 73.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.159 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.92 -41.94 98.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.021 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.08 -38.92 92.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.296 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.57 -40.25 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.454 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.48 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.25 -39.56 94.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.63 93.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.44 ' O ' ' OG ' ' A' ' 117' ' ' SER . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 83.1 p -59.78 -33.93 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.8 mm? -67.8 -37.51 82.1 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.67 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.81 -18.19 38.52 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.589 ' HG ' ' H ' ' A' ' 129' ' ' THR . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.589 ' H ' ' HG ' ' A' ' 127' ' ' SER . 73.1 p -78.62 155.96 29.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.06 141.86 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.546 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.12 -38.72 94.43 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.855 2.37 . . . . 0.0 112.296 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.6 154.31 28.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 174.41 -157.03 24.33 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 t -60.79 -30.42 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.454 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -67.95 -32.91 73.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -86.25 -13.2 47.51 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.217 0.532 . . . . 0.0 111.051 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.2 mt -88.03 123.23 40.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.61 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.49 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.588 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.94 151.8 43.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 85.1 mmm -65.53 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.2 p -83.38 167.79 17.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -61.74 -39.25 90.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.289 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.06 -38.78 92.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -64.74 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 97' ' ' ARG . 97.8 mt-10 -73.08 -23.89 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 70.27 -32.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' H ' ' C ' ' A' ' 95' ' ' GLU . 47.2 ttp180 54.47 49.75 17.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.236 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 99' ' ' VAL . 10.2 tt0 -152.92 -176.59 5.83 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' H ' ' HG2' ' A' ' 98' ' ' GLU . 2.1 t -66.6 149.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 40.0 p-10 -76.16 126.11 30.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -61.7 -22.69 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.475 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -61.39 -39.58 91.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.395 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.02 -41.96 99.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.89 -39.44 91.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.96 -41.56 96.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t -60.63 -42.73 97.48 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -33.0 62.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -93.73 7.0 46.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.448 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p -83.97 155.08 22.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -85.23 145.55 27.51 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.721 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.566 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.518 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 33.6 Cg_exo -59.19 147.87 88.62 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.877 2.385 . . . . 0.0 111.436 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -53.51 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.126 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.72 138.6 5.32 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.1 p -71.31 -16.94 62.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 110.66 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.12 -21.1 64.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.43 -6.14 58.55 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.987 0.423 . . . . 0.0 111.034 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.4 mt -87.17 128.53 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.39 150.55 48.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.451 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.03 115.71 4.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 0.0 110.622 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 p -82.13 167.07 19.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.09 -40.53 96.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.151 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.61 -39.47 91.55 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.55 -37.83 87.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -73.73 -14.15 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 97' ' ' ARG . . . 70.35 36.07 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.763 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 24.7 ttm180 83.32 152.13 0.09 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.64 0.587 . . . . 0.0 109.916 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.85 94.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.49 148.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.448 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.71 130.2 37.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 t -58.79 -40.97 85.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.098 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -62.3 -40.36 96.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.337 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.84 -40.61 97.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 110.187 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.01 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.586 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.9 -43.94 97.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.524 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.75 -40.52 95.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.83 -38.65 91.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' O ' ' OG ' ' A' ' 117' ' ' SER . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.44 ' O ' ' OG ' ' A' ' 120' ' ' SER . 89.5 p -62.66 -38.38 90.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.8 -36.83 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.04 -13.84 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 117' ' ' SER . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m -66.33 130.78 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -70.58 146.73 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.574 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.14 -11.45 31.68 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.941 2.427 . . . . 0.0 112.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' -2' ' ' LEU . 10.7 mp -55.55 144.72 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 158.22 -112.15 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.3 t -61.34 -24.21 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -67.23 -12.94 61.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.663 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HZ3' ' CB ' ' A' ' 75' ' ' LYS . 9.4 mtmp? -85.17 -5.01 59.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.112 0.482 . . . . 0.0 110.999 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 34.5 mm -87.27 124.36 40.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.353 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.2 134.3 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 25.2 mp0 -81.45 122.24 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.976 0.417 . . . . 0.0 110.361 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -78.89 153.03 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 p -77.49 168.02 20.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.289 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.26 -43.26 96.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.304 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.35 -40.03 95.07 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -65.0 -37.56 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -73.1 -20.08 61.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.408 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 69.52 33.98 2.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -172.04 -145.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 67.93 -125.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.0 151.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.476 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -75.07 127.19 32.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.286 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -57.36 -37.11 72.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.438 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.47 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 54.0 tt0 -62.85 -43.44 98.78 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 0.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.66 -37.02 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.155 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.42 -38.09 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.43 -44.78 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 3.8 mp0 -67.11 -41.34 86.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.716 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.69 -39.62 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -61.25 -41.37 96.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.63 -36.78 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -92.59 0.6 57.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.493 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.3 t -75.35 130.82 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -76.44 145.1 39.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.593 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.01 -25.16 51.94 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.722 2.281 . . . . 0.0 111.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -74.78 129.53 37.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.29 1.21 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 74.8 m -69.52 -20.94 63.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 12.0 mpt_? -66.96 -16.37 64.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -89.5 3.86 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.29 123.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.207 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.28 107.5 20.04 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.669 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -83.24 145.22 29.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -71.57 135.96 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.466 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.5 p -82.29 167.18 18.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.77 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 97' ' ' ARG . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.25 -38.91 92.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.42 -37.13 86.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.59 -12.01 60.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.762 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 97' ' ' ARG . . . 71.67 27.95 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 92' ' ' SER . 14.3 tpp180 44.18 95.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.5 -111.09 0.36 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.423 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.92 138.89 18.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.74 124.5 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.562 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -60.77 -41.04 94.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.548 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.29 -40.98 96.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.24 -40.47 97.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.03 -40.34 96.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.6 -41.0 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.408 . . . . 0.0 110.278 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.88 -40.49 96.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.275 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.05 -42.28 98.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -62.05 -40.64 96.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.15 -37.36 87.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -82.79 -17.5 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t -70.66 145.91 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.2 ptp180 -70.54 149.86 46.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.484 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 37.9 Cg_endo -64.35 -22.34 66.23 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.879 2.386 . . . . 0.0 111.865 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.99 128.44 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.381 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.22 69.44 1.39 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 t -66.22 -28.22 68.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.729 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -66.54 -14.44 62.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.58 -3.88 58.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.23 134.63 27.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.198 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 156.11 26.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.243 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -55.44 134.19 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.507 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.2 mtt -78.59 140.56 38.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.494 ' HG1' ' H ' ' A' ' 84' ' ' GLN . 60.5 p -79.69 170.06 17.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.281 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.62 -44.04 80.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.494 ' H ' ' HG1' ' A' ' 80' ' ' THR . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.28 -36.34 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -63.35 -37.36 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.157 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' OE1' ' ND2' ' A' ' 100' ' ' ASN . 77.8 mm-40 -83.96 -10.52 57.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.217 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 68.36 17.28 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.316 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 54.28 13.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.245 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -149.0 -122.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.456 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.63 150.7 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' OE1' ' A' ' 95' ' ' GLU . 12.8 m120 -76.96 128.39 34.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.46 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -59.11 -30.09 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -40.92 98.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -64.11 -39.51 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.337 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.99 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -41.99 99.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.355 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.18 -39.92 91.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -61.36 -38.34 86.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.755 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.41 HD12 HG21 ' A' ' 114' ' ' ILE . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -40.55 96.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.0 -36.08 74.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -74.82 -15.88 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p -83.09 155.46 23.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -76.39 141.37 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.486 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 38.6 Cg_exo -57.27 140.59 93.37 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.77 2.313 . . . . 0.0 111.803 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -114.04 135.98 53.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.014 0.435 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.95 84.33 0.1 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.6 m -66.96 -16.03 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -62.36 -29.91 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -84.46 -8.86 58.81 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 111.049 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 1.4 mp -87.53 126.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.091 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.68 158.42 25.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.362 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.67 155.1 36.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.32 142.56 58.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.401 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.8 p -80.08 167.88 19.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -61.56 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.152 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' HG ' ' A' ' 92' ' ' SER . 95.4 mt-10 -65.18 -39.71 93.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.4 -37.98 89.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 81.0 mm-40 -77.69 -17.8 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 67.75 28.93 7.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 95' ' ' GLU . 9.7 ptp85 -173.65 -144.88 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 73.19 157.1 0.18 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.8 t -74.6 140.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.226 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.63 127.09 31.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.443 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.1 t -54.69 -19.74 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -61.19 -36.13 79.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.64 -40.09 93.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.327 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.6 -40.63 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.638 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.06 -40.85 97.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.202 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.08 -41.2 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.323 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.88 -43.62 98.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.337 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t -60.77 -41.81 96.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.4 -37.18 84.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.237 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -76.02 -16.88 59.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p -82.37 155.17 24.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -83.21 150.14 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.465 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 130' ' ' ARG . 19.3 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 50.6 Cg_exo -55.9 -29.27 72.12 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.874 2.383 . . . . 0.0 111.943 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -141.68 159.43 42.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.01 74.12 0.12 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.1 p -70.25 -10.74 59.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.924 0.393 . . . . 0.0 110.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -66.68 -18.7 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -85.09 -7.21 59.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -87.01 125.27 40.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.37 104.98 17.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.504 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -86.08 153.34 22.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -62.71 136.55 57.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.428 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -81.95 162.5 22.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -62.01 -41.01 97.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 92' ' ' SER . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -69.29 -38.3 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 97' ' ' ARG . 78.1 mm-40 -87.07 -10.18 53.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 70.38 -6.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' H ' ' C ' ' A' ' 95' ' ' GLU . 78.1 ttt180 -88.95 119.04 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 99' ' ' VAL . 16.1 tm-20 -92.79 112.97 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.444 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.42 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 2.8 t -83.54 149.75 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.394 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.64 123.11 25.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -67.18 -18.45 65.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.573 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -36.67 80.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.153 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.45 -42.6 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.866 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' A' ' 108' ' ' GLU . 58.5 mp0 -68.48 -40.62 80.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.4 -38.23 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.33 -42.69 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.071 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.29 -44.7 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -61.87 -41.63 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.86 -35.91 79.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.678 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.81 -17.99 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.572 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.572 ' HG1' ' HG ' ' A' ' 127' ' ' SER . 84.9 m -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.51 141.59 46.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.642 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.43 -13.69 30.58 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.89 2.394 . . . . 0.0 111.914 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -62.2 -39.31 92.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.729 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.96 98.5 1.11 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.4 m -68.5 -25.98 65.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.921 0.391 . . . . 0.0 110.615 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -64.49 -19.24 65.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -86.2 3.05 44.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.4 123.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.49 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.7 146.79 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.527 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 78' ' ' GLN . 28.4 mp0 -85.1 117.35 24.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.04 142.24 35.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 84' ' ' GLN . 72.2 p -79.63 169.59 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.501 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.11 -44.43 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.558 ' NE2' ' OG1' ' A' ' 80' ' ' THR . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.14 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.621 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -85.46 -10.15 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 69.82 14.57 8.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -145.48 153.35 41.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.527 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -83.29 65.02 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.72 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.2 t -89.16 141.68 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -77.65 139.65 39.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.471 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 48.1 t -49.6 -42.42 44.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.207 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 26.5 mp0 -69.58 -40.25 76.84 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.748 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.79 -28.47 70.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.58 -37.43 78.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.384 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 45.8 mp0 -62.5 -45.31 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.599 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.01 -32.15 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.117 0.484 . . . . 0.0 110.64 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.49 -36.99 79.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.334 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m -60.58 -41.25 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -36.04 76.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 -83.39 -17.62 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.481 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.481 ' HG1' ' HG ' ' A' ' 127' ' ' SER . 97.5 m -78.66 131.16 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.457 ' H ' ' HD2' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -74.29 149.41 40.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.615 179.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.25 149.75 58.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.768 2.312 . . . . 0.0 111.952 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 8.3 mp -63.41 -40.13 96.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 172.99 90.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.0 p -64.4 -24.11 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.817 0.341 . . . . 0.0 110.653 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.693 ' H ' ' HE ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -72.61 -12.99 61.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -84.81 -5.5 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.718 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.6 mm -86.6 124.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.474 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.28 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.29 146.35 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.5 mtp -78.25 138.22 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.7 p -81.07 167.65 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -42.47 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ALA . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.08 -38.89 92.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -65.19 -37.89 88.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 97' ' ' ARG . 80.5 mm-40 -92.59 -5.35 51.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 70.74 -32.5 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' H ' ' C ' ' A' ' 95' ' ' GLU . 11.3 tpt180 54.38 26.56 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.209 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -138.3 -106.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.048 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.81 140.68 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -77.66 126.3 30.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.3 m -61.94 -38.95 90.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.09 -41.73 97.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.06 -39.54 93.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.042 0.449 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.18 -40.27 95.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.66 -42.41 99.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.69 -40.78 98.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -62.8 -40.88 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.6 -37.76 87.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -76.03 -17.25 59.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 129' ' ' THR . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.651 ' H ' ' HG ' ' A' ' 127' ' ' SER . 63.6 p -81.18 155.41 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.7 143.05 32.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.561 179.906 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.1 150.83 60.73 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.819 2.346 . . . . 0.0 111.694 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' -2' ' ' LEU . 4.4 mm? 51.57 73.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.352 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.79 37.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.804 -0.919 . . . . 0.0 110.804 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 95.7 p -64.54 -23.7 67.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.697 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -70.95 -15.02 62.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.953 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.08 -9.41 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.563 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 76' ' ' ILE . 33.0 mm -87.77 124.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.508 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.83 107.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.123 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -83.14 136.81 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' A' ' 102' ' ' GLN . 55.4 mtm -75.96 137.51 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.381 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.7 p -82.42 162.98 21.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -59.25 -31.71 69.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.134 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.97 -39.49 94.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -66.63 -38.61 87.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.592 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 97' ' ' ARG . 78.9 mm-40 -77.89 -23.24 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 69.57 -1.76 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 20.3 ptp180 -167.43 -158.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.352 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER 79.57 141.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.187 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' N ' ' OE2' ' A' ' 98' ' ' GLU . 2.4 t -65.79 152.09 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.222 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -76.05 125.97 30.13 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.571 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -62.48 -38.14 88.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.096 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' OE1' ' SD ' ' A' ' 79' ' ' MET . 94.6 mm-40 -61.48 -40.62 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.16 -42.39 93.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.55 -39.62 91.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.058 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -61.46 -42.11 98.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.37 -44.56 96.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.412 ' O ' ' OG ' ' A' ' 117' ' ' SER . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.472 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.489 ' HG ' ' N ' ' A' ' 118' ' ' LEU . 86.6 p -62.82 -38.76 91.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.489 ' N ' ' HG ' ' A' ' 117' ' ' SER . 89.3 mt -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -92.97 -2.02 56.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -88.69 131.64 34.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -70.45 130.53 42.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.297 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.384 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -60.92 -14.44 32.69 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.982 2.455 . . . . 0.0 111.788 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.68 -41.62 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.235 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 120.18 104.44 2.02 Favored Glycine 0 N--CA 1.469 0.847 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.3 m -69.79 -15.25 63.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.953 0.406 . . . . 0.0 110.719 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -61.79 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -84.71 -3.55 58.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.029 0.443 . . . . 0.0 111.286 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.17 132.15 32.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 144.22 57.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -67.73 138.87 56.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.57 151.98 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -81.18 166.24 20.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.259 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.07 -41.28 97.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.541 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.75 -40.14 88.17 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -64.69 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.519 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -87.09 -9.42 55.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 68.59 24.1 7.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -80.64 -102.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -79.91 86.72 5.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.47 147.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -76.58 141.32 41.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 t -51.75 -38.98 57.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' GLU . 12.9 pt20 -70.28 -42.41 72.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.951 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLN . 72.4 mm-40 -65.52 -25.43 67.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.671 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.17 -29.71 67.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 1.9 pp20? -60.58 -44.34 96.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 88.1 tt0 -72.0 -34.36 68.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 110.693 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -59.09 -36.49 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.403 ' O ' ' OG ' ' A' ' 117' ' ' SER . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 92.3 p -63.72 -38.6 91.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.73 -37.9 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.89 -17.59 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.543 ' HG ' ' H ' ' A' ' 129' ' ' THR . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.543 ' H ' ' HG ' ' A' ' 127' ' ' SER . 59.2 p -78.94 155.94 28.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.433 ' CD ' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -76.05 146.91 39.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.705 179.711 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.39 139.24 86.42 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.7 2.267 . . . . 0.0 111.819 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.8 tp -125.06 122.38 37.04 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.245 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.04 128.89 2.99 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.2 m -70.62 -16.26 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.0 110.355 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -64.81 -25.37 67.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -86.79 -6.37 58.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.052 0.454 . . . . 0.0 110.77 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.2 mt -88.0 125.05 41.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.27 153.93 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.559 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.23 132.1 51.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.627 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.88 136.14 36.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.62 ' HG1' ' H ' ' A' ' 84' ' ' GLN . 48.9 p -81.67 168.66 17.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.336 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -59.02 -44.32 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.025 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.62 ' H ' ' HG1' ' A' ' 80' ' ' THR . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' OG ' ' A' ' 92' ' ' SER . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.98 -37.32 81.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -64.79 -19.68 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.44 -13.08 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 74.36 35.5 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.297 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.79 80.53 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.106 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 63.6 15.44 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -88.54 152.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -75.16 127.45 33.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 0.0 110.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -60.49 -41.85 95.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.707 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.94 -40.12 94.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.352 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.6 -40.11 96.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.411 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -39.4 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.743 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.02 -45.2 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.0 -40.08 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.863 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -42.17 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' C ' ' HZ2' ' A' ' 112' ' ' LYS . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HZ2' ' C ' ' A' ' 108' ' ' GLU . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -62.16 -39.34 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.44 -37.66 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.76 -10.49 58.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m -67.27 131.88 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -74.94 129.47 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.166 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.39 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 48.8 Cg_exo -54.18 -37.17 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.582 2.188 . . . . 0.0 112.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.93 -23.33 12.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.03 21.8 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.9 p -71.01 -16.39 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 110.591 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.38 -17.22 64.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.411 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.62 -7.97 59.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 0.0 110.401 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.9 mt -83.58 124.5 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.99 132.95 33.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -84.71 133.87 34.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.5 142.56 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.6 p -80.75 166.92 20.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.606 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.0 -41.4 96.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.468 ' O ' ' OE1' ' A' ' 93' ' ' GLU . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 -67.72 -38.67 83.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.03 -37.63 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' A' ' 97' ' ' ARG . 99.2 mt-10 -90.48 -4.38 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.489 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 70.95 -17.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.607 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' H ' ' C ' ' A' ' 95' ' ' GLU . 55.2 ttt180 41.1 37.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -160.35 -92.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.242 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.46 144.88 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -77.84 126.27 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.09 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -62.62 -35.95 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.742 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 9.2 pm0 -66.56 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.98 -39.93 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 109.901 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.99 -40.65 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.041 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.694 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.41 -40.12 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.38 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.8 -42.96 98.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.465 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -61.76 -42.5 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? -72.42 -36.03 68.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.048 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -79.61 -13.45 59.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.604 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -71.8 131.48 43.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -72.29 133.67 45.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.61 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.0 140.32 92.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.75 2.3 . . . . 0.0 111.898 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 9.1 mp -63.92 -39.95 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 111.22 96.91 2.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.8 m -70.53 -16.78 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -69.86 -17.09 63.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.733 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -92.28 5.31 51.0 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.329 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.5 mm -86.14 124.4 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.96 155.17 21.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.418 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -79.47 123.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.4 mtm -79.3 139.9 37.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.3 p -80.44 167.98 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -59.36 -43.8 92.8 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.093 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 76.6 mm-40 -62.89 -39.16 93.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.525 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -82.28 0.07 43.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 68.13 29.01 6.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 95.6 mtt-85 57.62 28.24 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.753 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -97.71 -49.43 4.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.93 147.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.027 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' OE1' ' A' ' 102' ' ' GLN . 64.6 t30 -76.89 120.47 22.07 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.52 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -81.67 -24.15 36.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.439 ' OE1' ' OD1' ' A' ' 100' ' ' ASN . 23.0 mp0 -61.45 -41.47 97.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.723 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -66.47 -40.12 89.18 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 96.1 mt-10 -66.61 -40.92 89.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.703 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -63.43 -41.42 98.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -41.59 97.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m -61.96 -41.41 97.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.5 mt -70.44 -36.6 74.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.72 -10.54 59.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -77.86 148.07 34.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.82 141.5 51.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.637 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.747 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 32.1 Cg_exo -58.21 147.79 82.08 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.741 2.294 . . . . 0.0 111.645 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.5 -44.59 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.3 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.03 -163.27 33.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.1 m -62.15 -15.88 48.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.74 -27.54 68.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -86.24 -6.88 58.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 111.093 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 1.4 mp -87.24 128.11 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.203 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.1 140.2 54.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.082 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -84.34 144.35 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.729 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.1 mtm -78.28 133.4 37.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.382 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' A' ' 84' ' ' GLN . 35.3 p -81.94 170.48 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.466 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.75 -39.36 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' OE1' ' OG1' ' A' ' 80' ' ' THR . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' ' OG ' ' A' ' 92' ' ' SER . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.1 -39.2 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -67.58 -36.8 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.632 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 76.8 mm-40 -75.77 2.45 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 95' ' ' GLU . . . 79.65 26.88 0.37 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -118.87 149.53 41.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.48 29.2 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.462 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.3 152.81 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -75.01 127.49 33.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.358 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 t -53.22 -20.29 3.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.58 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.11 -39.33 89.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.196 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.16 -40.83 98.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.929 0.395 . . . . 0.0 110.107 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.56 -40.4 95.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.499 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -61.5 -43.94 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.98 -42.22 98.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' A' ' 118' ' ' LEU . 89.0 p -62.04 -38.87 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' N ' ' HG ' ' A' ' 117' ' ' SER . 91.0 mt -65.87 -37.02 85.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -80.26 -14.94 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.501 ' H ' ' NE ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m -85.13 130.38 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -70.26 148.73 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.34 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.629 0.252 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 122' ' ' ARG . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.71 0.29 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.665 0.269 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.869 0.366 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 85' ' ' PHE . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE2' HD11 ' A' ' 89' ' ' LEU . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 114' ' ' ILE . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.425 ' OG1' ' OD2' ' A' ' 125' ' ' ASP . 73.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.77 0.319 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.666 0.27 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.688 0.28 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.514 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.43 ' HG2' HH12 ' A' ' 111' ' ' ARG . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.662 0.268 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.43 HH12 ' HG2' ' A' ' 84' ' ' GLN . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.651 0.262 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.872 0.368 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 129' ' ' THR . 13.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.676 0.274 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.724 0.297 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.813 0.34 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.844 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.727 0.298 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.703 0.287 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 129' ' ' THR . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' A' ' 125' ' ' ASP . 84.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.722 0.296 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.67 0.271 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.899 0.38 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.6 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.894 0.378 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.697 0.284 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.733 0.301 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 . . . . . 0 C--O 1.228 -0.044 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 114' ' ' ILE . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 110' ' ' LEU . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 59.2 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CE2' HD11 ' A' ' 89' ' ' LEU . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.611 0.243 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 85' ' ' PHE . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.676 0.274 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.728 0.299 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 89' ' ' LEU . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.604 0.24 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 89' ' ' LEU . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.556 ' NE ' ' H ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.18 -38.48 87.93 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.873 2.382 . . . . 0.0 111.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.93 -60.85 0.21 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 150.24 100.91 0.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.63 ' HA ' HD12 ' A' ' 76' ' ' ILE . 89.4 p -69.59 -13.04 62.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 110.43 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.06 -29.38 68.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -96.5 -6.37 37.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 0' ' ' SER . 97.6 mt -86.84 124.36 40.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.462 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.59 133.04 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.093 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -84.42 148.03 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 79' ' ' MET . 2.2 mpt? -78.33 143.33 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -80.9 168.75 18.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.14 -39.97 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -39.4 94.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.8 -38.21 88.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.4 mm-40 -92.68 2.12 56.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 72.67 -38.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 95' ' ' GLU . 0.7 OUTLIER -170.58 -66.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.267 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -151.26 -51.99 0.13 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.68 149.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -76.03 124.5 27.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.8 p -62.84 -23.41 67.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.613 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.89 -38.97 93.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.3 -40.99 98.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.51 96.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.85 -39.89 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -42.35 98.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.9 p -62.43 -38.94 91.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.57 -37.49 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -76.91 -16.89 59.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 122' ' ' ARG . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t -86.39 134.19 33.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -71.37 142.66 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.49 149.83 69.13 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.641 2.227 . . . . 0.0 111.751 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' -2' ' ' LEU . 0.4 OUTLIER -154.6 175.75 13.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.397 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.93 -175.85 45.17 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 -18.22 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.81 -13.04 54.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -83.0 -5.07 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 0.0 111.067 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.54 125.02 40.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.415 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.21 132.0 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.83 144.58 28.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -76.18 131.45 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -81.56 168.53 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.33 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -60.14 -38.47 83.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.997 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' A' ' 97' ' ' ARG . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.38 -38.38 89.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.01 -36.38 83.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 76.1 mm-40 -73.09 -7.16 50.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 78.46 26.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' A' ' 92' ' ' SER . 61.6 ttm-85 -60.63 -44.6 96.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.366 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -106.45 130.98 54.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.082 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.06 137.81 24.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.408 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 32.1 m120 -78.28 127.32 32.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.628 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.3 p -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.277 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.95 -40.66 98.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.464 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.27 -40.65 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.369 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -63.94 -40.95 97.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.06 -39.79 91.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.86 -39.07 93.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.704 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m -62.71 -40.37 96.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.44 -37.27 86.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.705 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.69 -13.37 59.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m -66.03 132.24 48.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -70.7 149.26 47.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.612 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.45 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.59 87.69 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.915 2.41 . . . . 0.0 111.944 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp 55.45 97.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.3 76.45 0.14 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 96.8 p -61.65 -25.34 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.443 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -69.85 -32.06 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.91 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -92.14 -11.54 35.36 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 111.277 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -89.75 124.44 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.641 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.51 158.49 20.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.26 132.85 48.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.513 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.79 131.82 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -81.8 168.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.193 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.071 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.4 -38.98 88.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.507 ' OE1' ' NH1' ' A' ' 111' ' ' ARG . 22.9 mt-30 -65.52 -35.01 79.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 95.6 mt-10 -71.21 -10.89 60.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 73.39 38.92 0.62 Allowed 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.671 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -52.97 -41.61 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.932 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.64 9.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.121 0.486 . . . . 0.0 110.504 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.69 153.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -72.8 135.73 45.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.085 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -54.5 -31.57 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.155 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -62.54 -41.11 98.67 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 110.314 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.5 -37.32 87.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.45 -38.57 90.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.07 -44.7 96.99 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.564 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.41 -38.45 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.547 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.507 ' NH1' ' OE1' ' A' ' 94' ' ' GLN . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.9 p -64.33 -40.69 96.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.27 -35.63 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -75.14 -13.87 60.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.3 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m -89.53 130.44 35.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -70.44 133.41 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.698 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.494 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 51.2 Cg_exo -54.95 -38.46 93.0 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.667 2.245 . . . . 0.0 111.949 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -108.28 -31.11 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.77 170.5 37.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.1 m -73.41 -16.23 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -73.31 -13.67 61.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -85.06 -0.54 54.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.2 mm -86.48 124.22 40.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.14 164.88 26.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 26.8 mp0 -61.75 145.58 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mtp -76.15 130.86 38.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.685 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.3 p -82.27 169.21 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.78 -38.81 82.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 85' ' ' PHE . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.596 ' O ' ' NE2' ' A' ' 94' ' ' GLN . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -62.94 -40.24 97.05 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.596 ' NE2' ' O ' ' A' ' 90' ' ' LYS . 4.3 mp0 -70.28 -31.26 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.4 mt-10 -73.37 -12.37 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.743 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.81 35.89 1.66 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -82.67 -91.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.85 -1.18 3.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' ASN . 27.4 t -64.82 154.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 34.1 m120 -70.12 128.06 34.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.403 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.3 p -58.65 -16.19 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.093 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.97 -29.71 67.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.084 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.8 -43.2 98.45 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.46 -40.3 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.6 -36.55 82.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.17 -44.81 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.221 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.52 -40.44 97.03 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.453 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m -61.3 -39.8 91.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.73 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -75.95 -17.21 59.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p -84.05 155.24 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -80.81 142.77 33.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.698 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.0 -24.2 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.775 2.316 . . . . 0.0 111.95 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.436 ' CG ' ' H ' ' A' ' -1' ' ' GLY . 4.7 tp 45.94 -142.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.451 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.436 ' H ' ' CG ' ' A' ' -2' ' ' LEU . . . 86.11 99.67 0.76 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 98.7 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.353 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -62.74 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -85.88 -8.37 58.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.149 0.5 . . . . 0.0 110.892 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -88.83 124.53 41.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.265 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.99 122.75 20.58 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.65 135.41 33.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -77.16 147.08 36.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -81.16 165.34 21.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.94 -43.25 98.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE2' HD11 ' A' ' 89' ' ' LEU . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -65.21 -38.71 91.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.82 -38.37 90.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.1 mt-10 -89.36 -11.29 43.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 71.12 -49.33 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -145.13 -164.12 1.86 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.01 -39.37 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.97 152.6 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -75.74 126.15 30.45 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.056 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.0 p -62.87 -32.08 73.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.159 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.92 -41.94 98.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.021 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.08 -38.92 92.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.296 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.57 -40.25 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.454 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.48 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.25 -39.56 94.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.63 93.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 114' ' ' ILE . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.1 p -59.78 -33.93 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 118' ' ' LEU . 3.8 mm? -67.8 -37.51 82.1 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.67 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.81 -18.19 38.52 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.425 ' OG1' ' OD2' ' A' ' 125' ' ' ASP . 73.1 p -78.62 155.96 29.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.06 141.86 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.546 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.12 -38.72 94.43 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.855 2.37 . . . . 0.0 112.296 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.6 154.31 28.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 174.41 -157.03 24.33 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 t -60.79 -30.42 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.454 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -67.95 -32.91 73.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -86.25 -13.2 47.51 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.217 0.532 . . . . 0.0 111.051 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.2 mt -88.03 123.23 40.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.61 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.49 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.588 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.94 151.8 43.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 85.1 mmm -65.53 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.2 p -83.38 167.79 17.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -61.74 -39.25 90.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.289 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.06 -38.78 92.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -64.74 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 97' ' ' ARG . 97.8 mt-10 -73.08 -23.89 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.27 -32.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 95' ' ' GLU . 47.2 ttp180 54.47 49.75 17.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.236 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' A' ' 99' ' ' VAL . 10.2 tt0 -152.92 -176.59 5.83 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.458 ' H ' ' HG2' ' A' ' 98' ' ' GLU . 2.1 t -66.6 149.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 40.0 p-10 -76.16 126.11 30.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -61.7 -22.69 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.475 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -61.39 -39.58 91.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.395 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.02 -41.96 99.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.89 -39.44 91.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.96 -41.56 96.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t -60.63 -42.73 97.48 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -33.0 62.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -93.73 7.0 46.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.514 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p -83.97 155.08 22.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -85.23 145.55 27.51 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.721 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.566 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.518 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 33.6 Cg_exo -59.19 147.87 88.62 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.877 2.385 . . . . 0.0 111.436 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' -2' ' ' LEU . 0.2 OUTLIER -59.32 -53.51 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.126 -179.429 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.72 138.6 5.32 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.1 p -71.31 -16.94 62.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 110.66 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.12 -21.1 64.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.43 -6.14 58.55 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.987 0.423 . . . . 0.0 111.034 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.4 mt -87.17 128.53 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.39 150.55 48.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.451 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.03 115.71 4.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 0.0 110.622 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.416 ' CA ' HH22 ' A' ' 111' ' ' ARG . 24.8 ptt? -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 p -82.13 167.07 19.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.09 -40.53 96.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.151 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.43 ' HG2' HH12 ' A' ' 111' ' ' ARG . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.61 -39.47 91.55 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.55 -37.83 87.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.8 mm-40 -73.73 -14.15 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.35 36.07 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.763 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 24.7 ttm180 83.32 152.13 0.09 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.64 0.587 . . . . 0.0 109.916 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.85 94.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.49 148.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.448 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.71 130.2 37.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 t -58.79 -40.97 85.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.098 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 26.9 mp0 -62.3 -40.36 96.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.84 -40.61 97.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 110.187 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.01 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.586 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.9 -43.94 97.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.524 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.75 -40.52 95.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.83 -38.65 91.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.43 HH12 ' HG2' ' A' ' 84' ' ' GLN . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.5 p -62.66 -38.38 90.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.8 -36.83 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.04 -13.84 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m -66.33 130.78 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -70.58 146.73 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.574 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.14 -11.45 31.68 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.941 2.427 . . . . 0.0 112.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' -2' ' ' LEU . 10.7 mp -55.55 144.72 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 158.22 -112.15 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.3 t -61.34 -24.21 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -67.23 -12.94 61.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.663 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -85.17 -5.01 59.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.112 0.482 . . . . 0.0 110.999 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 34.5 mm -87.27 124.36 40.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.353 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.2 134.3 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 78' ' ' GLN . 25.2 mp0 -81.45 122.24 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.976 0.417 . . . . 0.0 110.361 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -78.89 153.03 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 p -77.49 168.02 20.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.289 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.26 -43.26 96.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.304 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.35 -40.03 95.07 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -65.0 -37.56 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.3 mt-10 -73.1 -20.08 61.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.408 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.52 33.98 2.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -172.04 -145.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 67.93 -125.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 99' ' ' VAL . 2.2 t -66.0 151.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.476 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -75.07 127.19 32.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.286 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -57.36 -37.11 72.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.438 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.47 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 54.0 tt0 -62.85 -43.44 98.78 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 0.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.66 -37.02 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.155 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.42 -38.09 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.43 -44.78 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 3.8 mp0 -67.11 -41.34 86.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.716 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.69 -39.62 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -61.25 -41.37 96.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.63 -36.78 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -92.59 0.6 57.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.493 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 129' ' ' THR . 13.3 t -75.35 130.82 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -76.44 145.1 39.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.593 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.01 -25.16 51.94 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.722 2.281 . . . . 0.0 111.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -74.78 129.53 37.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.29 1.21 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 74.8 m -69.52 -20.94 63.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 12.0 mpt_? -66.96 -16.37 64.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -89.5 3.86 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.29 123.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.207 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.28 107.5 20.04 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.669 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -83.24 145.22 29.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -71.57 135.96 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.466 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.5 p -82.29 167.18 18.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.77 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 97' ' ' ARG . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.25 -38.91 92.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.42 -37.13 86.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 97.2 mt-10 -73.59 -12.01 60.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 71.67 27.95 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 92' ' ' SER . 14.3 tpp180 44.18 95.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.5 -111.09 0.36 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.423 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.92 138.89 18.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.74 124.5 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.562 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -60.77 -41.04 94.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.548 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.29 -40.98 96.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.24 -40.47 97.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.03 -40.34 96.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.6 -41.0 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.408 . . . . 0.0 110.278 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.88 -40.49 96.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.275 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.05 -42.28 98.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -62.05 -40.64 96.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.15 -37.36 87.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -82.79 -17.5 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t -70.66 145.91 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.2 ptp180 -70.54 149.86 46.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.484 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 37.9 Cg_endo -64.35 -22.34 66.23 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.879 2.386 . . . . 0.0 111.865 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.99 128.44 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.381 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.22 69.44 1.39 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 t -66.22 -28.22 68.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.729 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -66.54 -14.44 62.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.58 -3.88 58.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.23 134.63 27.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.198 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 156.11 26.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.243 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -55.44 134.19 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.507 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.2 mtt -78.59 140.56 38.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 170.06 17.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.281 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.62 -44.04 80.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.28 -36.34 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -63.35 -37.36 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.157 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 77.8 mm-40 -83.96 -10.52 57.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.217 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.36 17.28 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.316 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 54.28 13.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.245 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -149.0 -122.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.456 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.63 150.7 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -76.96 128.39 34.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.46 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -59.11 -30.09 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -40.92 98.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -64.11 -39.51 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.337 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.99 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -41.99 99.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.355 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.18 -39.92 91.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -61.36 -38.34 86.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.755 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -40.55 96.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.0 -36.08 74.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -74.82 -15.88 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p -83.09 155.46 23.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -76.39 141.37 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.486 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 38.6 Cg_exo -57.27 140.59 93.37 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.77 2.313 . . . . 0.0 111.803 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -114.04 135.98 53.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.014 0.435 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.95 84.33 0.1 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.6 m -66.96 -16.03 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -62.36 -29.91 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -84.46 -8.86 58.81 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 111.049 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.4 mp -87.53 126.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.091 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.68 158.42 25.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.362 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.67 155.1 36.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.32 142.56 58.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.401 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.8 p -80.08 167.88 19.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -61.56 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.152 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.18 -39.71 93.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.4 -37.98 89.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 81.0 mm-40 -77.69 -17.8 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 67.75 28.93 7.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 95' ' ' GLU . 9.7 ptp85 -173.65 -144.88 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 73.19 157.1 0.18 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 99' ' ' VAL . 1.8 t -74.6 140.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.226 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.63 127.09 31.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.443 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.1 t -54.69 -19.74 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -61.19 -36.13 79.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.64 -40.09 93.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.327 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.6 -40.63 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.638 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.06 -40.85 97.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.202 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.08 -41.2 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.323 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.88 -43.62 98.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.337 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t -60.77 -41.81 96.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.4 -37.18 84.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.237 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -76.02 -16.88 59.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p -82.37 155.17 24.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.495 ' HD3' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -83.21 150.14 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.465 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.479 179.565 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 50.6 Cg_exo -55.9 -29.27 72.12 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.874 2.383 . . . . 0.0 111.943 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -141.68 159.43 42.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.01 74.12 0.12 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.1 p -70.25 -10.74 59.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.924 0.393 . . . . 0.0 110.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -66.68 -18.7 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -85.09 -7.21 59.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -87.01 125.27 40.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.37 104.98 17.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.504 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -86.08 153.34 22.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -62.71 136.55 57.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.428 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -81.95 162.5 22.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -62.01 -41.01 97.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -69.29 -38.3 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.1 mm-40 -87.07 -10.18 53.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.38 -6.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 95' ' ' GLU . 78.1 ttt180 -88.95 119.04 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 99' ' ' VAL . 16.1 tm-20 -92.79 112.97 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.444 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.42 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 2.8 t -83.54 149.75 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.394 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.64 123.11 25.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -67.18 -18.45 65.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.573 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -36.67 80.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.153 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.45 -42.6 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.866 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' A' ' 108' ' ' GLU . 58.5 mp0 -68.48 -40.62 80.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.4 -38.23 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.33 -42.69 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.071 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.29 -44.7 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -61.87 -41.63 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.86 -35.91 79.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.678 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.81 -17.99 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 129' ' ' THR . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' A' ' 125' ' ' ASP . 84.9 m -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.51 141.59 46.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.642 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.43 -13.69 30.58 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.89 2.394 . . . . 0.0 111.914 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -62.2 -39.31 92.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.729 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.96 98.5 1.11 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.4 m -68.5 -25.98 65.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.921 0.391 . . . . 0.0 110.615 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -64.49 -19.24 65.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -86.2 3.05 44.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.4 123.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.49 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.7 146.79 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.527 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 78' ' ' GLN . 28.4 mp0 -85.1 117.35 24.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.04 142.24 35.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 84' ' ' GLN . 72.2 p -79.63 169.59 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.501 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.11 -44.43 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.558 ' NE2' ' OG1' ' A' ' 80' ' ' THR . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.14 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.621 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 98.6 mt-10 -85.46 -10.15 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.82 14.57 8.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -145.48 153.35 41.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.527 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -83.29 65.02 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.72 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.2 t -89.16 141.68 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -77.65 139.65 39.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.471 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 48.1 t -49.6 -42.42 44.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.207 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 26.5 mp0 -69.58 -40.25 76.84 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.748 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.79 -28.47 70.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.58 -37.43 78.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.384 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 45.8 mp0 -62.5 -45.31 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.599 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.01 -32.15 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.117 0.484 . . . . 0.0 110.64 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.49 -36.99 79.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.334 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m -60.58 -41.25 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -36.04 76.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 -83.39 -17.62 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.5 m -78.66 131.16 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.516 ' H ' ' HD2' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -74.29 149.41 40.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.615 179.807 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.25 149.75 58.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.768 2.312 . . . . 0.0 111.952 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' -2' ' ' LEU . 8.3 mp -63.41 -40.13 96.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 172.99 90.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.0 p -64.4 -24.11 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.817 0.341 . . . . 0.0 110.653 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.758 ' HE ' ' H ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -72.61 -12.99 61.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -84.81 -5.5 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.718 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.6 mm -86.6 124.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.474 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.28 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.29 146.35 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.5 mtp -78.25 138.22 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.7 p -81.07 167.65 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -42.47 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ALA . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.08 -38.89 92.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -65.19 -37.89 88.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 97' ' ' ARG . 80.5 mm-40 -92.59 -5.35 51.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.74 -32.5 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 95' ' ' GLU . 11.3 tpt180 54.38 26.56 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.209 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -138.3 -106.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.048 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.81 140.68 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -77.66 126.3 30.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.3 m -61.94 -38.95 90.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.09 -41.73 97.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.06 -39.54 93.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.042 0.449 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.18 -40.27 95.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.66 -42.41 99.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.69 -40.78 98.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -62.8 -40.88 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.6 -37.76 87.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -76.03 -17.25 59.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.6 p -81.18 155.41 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.7 143.05 32.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.561 179.906 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.1 150.83 60.73 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.819 2.346 . . . . 0.0 111.694 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' -2' ' ' LEU . 4.4 mm? 51.57 73.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.352 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.79 37.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.804 -0.919 . . . . 0.0 110.804 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 95.7 p -64.54 -23.7 67.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.697 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -70.95 -15.02 62.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.953 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.08 -9.41 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.563 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.77 124.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.508 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.83 107.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.123 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -83.14 136.81 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.646 ' SD ' ' NE2' ' A' ' 102' ' ' GLN . 55.4 mtm -75.96 137.51 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.381 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.7 p -82.42 162.98 21.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -59.25 -31.71 69.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.134 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.97 -39.49 94.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -66.63 -38.61 87.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.592 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.9 mm-40 -77.89 -23.24 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.57 -1.76 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 20.3 ptp180 -167.43 -158.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.352 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER 79.57 141.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.187 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' N ' ' OE2' ' A' ' 98' ' ' GLU . 2.4 t -65.79 152.09 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.222 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.05 125.97 30.13 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.571 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -62.48 -38.14 88.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.096 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.646 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 24.7 mm100 -61.48 -40.62 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.16 -42.39 93.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.55 -39.62 91.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.058 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -61.46 -42.11 98.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.37 -44.56 96.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.6 p -62.82 -38.76 91.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -92.97 -2.02 56.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -88.69 131.64 34.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -70.45 130.53 42.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.297 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.384 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -60.92 -14.44 32.69 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.982 2.455 . . . . 0.0 111.788 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.68 -41.62 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.235 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 120.18 104.44 2.02 Favored Glycine 0 N--CA 1.469 0.847 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.3 m -69.79 -15.25 63.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.953 0.406 . . . . 0.0 110.719 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -61.79 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -84.71 -3.55 58.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.029 0.443 . . . . 0.0 111.286 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.17 132.15 32.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 144.22 57.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -67.73 138.87 56.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.57 151.98 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -81.18 166.24 20.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.259 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.07 -41.28 97.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.541 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.75 -40.14 88.17 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -64.69 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.519 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.8 mm-40 -87.09 -9.42 55.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.59 24.1 7.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -80.64 -102.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -79.91 86.72 5.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.47 147.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -76.58 141.32 41.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 t -51.75 -38.98 57.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' GLU . 12.9 pt20 -70.28 -42.41 72.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.951 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLN . 72.4 mm-40 -65.52 -25.43 67.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.671 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.17 -29.71 67.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 1.9 pp20? -60.58 -44.34 96.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 88.1 tt0 -72.0 -34.36 68.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 110.693 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -59.09 -36.49 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 114' ' ' ILE . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 110' ' ' LEU . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -63.72 -38.6 91.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.73 -37.9 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.89 -17.59 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 59.2 p -78.94 155.94 28.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.509 ' CD ' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -76.05 146.91 39.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.705 179.711 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.39 139.24 86.42 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.7 2.267 . . . . 0.0 111.819 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.8 tp -125.06 122.38 37.04 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.245 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.04 128.89 2.99 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 76' ' ' ILE . 66.2 m -70.62 -16.26 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.0 110.355 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -64.81 -25.37 67.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -86.79 -6.37 58.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.052 0.454 . . . . 0.0 110.77 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 0' ' ' SER . 79.2 mt -88.0 125.05 41.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.27 153.93 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.559 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.23 132.1 51.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.627 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.88 136.14 36.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.47 ' OG1' ' OE1' ' A' ' 84' ' ' GLN . 48.9 p -81.67 168.66 17.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.336 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -59.02 -44.32 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.025 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' OE1' ' OG1' ' A' ' 80' ' ' THR . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CE2' HD11 ' A' ' 89' ' ' LEU . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.98 -37.32 81.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -64.79 -19.68 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.5 mm-40 -70.44 -13.08 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.472 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 74.36 35.5 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.297 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.79 80.53 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.106 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 63.6 15.44 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -88.54 152.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -75.16 127.45 33.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 0.0 110.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -60.49 -41.85 95.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.707 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.94 -40.12 94.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.352 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.6 -40.11 96.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.411 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -39.4 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.743 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.02 -45.2 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.0 -40.08 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.863 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -42.17 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -62.16 -39.34 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.44 -37.66 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.76 -10.49 58.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m -67.27 131.88 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -74.94 129.47 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.166 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.39 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 48.8 Cg_exo -54.18 -37.17 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.582 2.188 . . . . 0.0 112.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.93 -23.33 12.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.03 21.8 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.9 p -71.01 -16.39 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 110.591 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.38 -17.22 64.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.411 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.62 -7.97 59.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 0.0 110.401 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.9 mt -83.58 124.5 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.99 132.95 33.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -84.71 133.87 34.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.5 142.56 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.6 p -80.75 166.92 20.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.606 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.0 -41.4 96.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 85' ' ' PHE . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 -67.72 -38.67 83.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.03 -37.63 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.2 mt-10 -90.48 -4.38 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.489 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.95 -17.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.607 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.531 ' H ' ' C ' ' A' ' 95' ' ' GLU . 55.2 ttt180 41.1 37.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -160.35 -92.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.242 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.46 144.88 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -77.84 126.27 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.09 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -62.62 -35.95 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.742 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.582 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 9.2 pm0 -66.56 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.98 -39.93 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 109.901 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.99 -40.65 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.041 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.694 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.41 -40.12 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.38 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.8 -42.96 98.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.465 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -61.76 -42.5 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 118' ' ' LEU . 4.2 mm? -72.42 -36.03 68.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.048 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -79.61 -13.45 59.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.604 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -71.8 131.48 43.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -72.29 133.67 45.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.61 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.0 140.32 92.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.75 2.3 . . . . 0.0 111.898 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' -2' ' ' LEU . 9.1 mp -63.92 -39.95 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 111.22 96.91 2.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.8 m -70.53 -16.78 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -69.86 -17.09 63.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.733 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -92.28 5.31 51.0 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.329 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.5 mm -86.14 124.4 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.96 155.17 21.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.418 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -79.47 123.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.4 mtm -79.3 139.9 37.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.3 p -80.44 167.98 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -59.36 -43.8 92.8 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.093 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' A' ' 105' ' ' GLU . 64.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 89' ' ' LEU . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 76.6 mm-40 -62.89 -39.16 93.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.525 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 79.6 mm-40 -82.28 0.07 43.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.13 29.01 6.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 95.6 mtt-85 57.62 28.24 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.753 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -97.71 -49.43 4.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.93 147.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.027 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' OE1' ' A' ' 102' ' ' GLN . 64.6 t30 -76.89 120.47 22.07 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.52 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -81.67 -24.15 36.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.439 ' OE1' ' OD1' ' A' ' 100' ' ' ASN . 23.0 mp0 -61.45 -41.47 97.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.723 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -66.47 -40.12 89.18 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 96.1 mt-10 -66.61 -40.92 89.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.703 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.469 ' HB3' HE21 ' A' ' 84' ' ' GLN . 14.5 mm-40 -63.43 -41.42 98.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -41.59 97.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m -61.96 -41.41 97.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.5 mt -70.44 -36.6 74.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.72 -10.54 59.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -77.86 148.07 34.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.82 141.5 51.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.637 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.747 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 32.1 Cg_exo -58.21 147.79 82.08 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.741 2.294 . . . . 0.0 111.645 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.5 -44.59 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.3 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.03 -163.27 33.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.1 m -62.15 -15.88 48.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.74 -27.54 68.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -86.24 -6.88 58.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 111.093 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.4 mp -87.24 128.11 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.203 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.1 140.2 54.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.082 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -84.34 144.35 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.729 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.1 mtm -78.28 133.4 37.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.382 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' A' ' 84' ' ' GLN . 35.3 p -81.94 170.48 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.466 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.75 -39.36 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' OE1' ' OG1' ' A' ' 80' ' ' THR . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 89' ' ' LEU . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.1 -39.2 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -67.58 -36.8 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.632 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 76.8 mm-40 -75.77 2.45 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 79.65 26.88 0.37 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -118.87 149.53 41.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.48 29.2 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.462 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.3 152.81 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -75.01 127.49 33.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.358 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 t -53.22 -20.29 3.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.58 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.11 -39.33 89.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.196 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.16 -40.83 98.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.929 0.395 . . . . 0.0 110.107 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.56 -40.4 95.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.499 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -61.5 -43.94 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.98 -42.22 98.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.0 p -62.04 -38.87 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.87 -37.02 85.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -80.26 -14.94 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.556 ' NE ' ' H ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m -85.13 130.38 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -70.26 148.73 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.34 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.629 0.252 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 122' ' ' ARG . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.814 0.34 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.71 0.29 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.665 0.269 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.869 0.366 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 85' ' ' PHE . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.943 0.401 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE2' HD11 ' A' ' 89' ' ' LEU . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 114' ' ' ILE . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.425 ' OG1' ' OD2' ' A' ' 125' ' ' ASP . 73.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.77 0.319 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.666 0.27 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.4 m120 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.688 0.28 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.514 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.43 ' HG2' HH12 ' A' ' 111' ' ' ARG . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.662 0.268 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.43 HH12 ' HG2' ' A' ' 84' ' ' GLN . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.651 0.262 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.872 0.368 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 129' ' ' THR . 13.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.676 0.274 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.724 0.297 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.813 0.34 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.844 0.355 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.727 0.298 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.703 0.287 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 129' ' ' THR . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' A' ' 125' ' ' ASP . 84.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.722 0.296 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.67 0.271 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.899 0.38 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.6 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.894 0.378 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.697 0.284 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.733 0.301 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 . . . . . 0 C--O 1.228 -0.044 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 114' ' ' ILE . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 110' ' ' LEU . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 59.2 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CE2' HD11 ' A' ' 89' ' ' LEU . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.611 0.243 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 85' ' ' PHE . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.676 0.274 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.728 0.299 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 89' ' ' LEU . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.604 0.24 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 89' ' ' LEU . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.556 ' H ' ' NE ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.18 -38.48 87.93 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.873 2.382 . . . . 0.0 111.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.93 -60.85 0.21 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 150.24 100.91 0.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.63 ' HA ' HD12 ' A' ' 76' ' ' ILE . 89.4 p -69.59 -13.04 62.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.901 0.382 . . . . 0.0 110.43 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.06 -29.38 68.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -96.5 -6.37 37.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.079 0.466 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 0' ' ' SER . 97.6 mt -86.84 124.36 40.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.462 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.59 133.04 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.093 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -84.42 148.03 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 79' ' ' MET . 2.2 mpt? -78.33 143.33 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -80.9 168.75 18.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.14 -39.97 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.154 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.85 -39.78 95.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -63.3 -39.3 94.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -62.31 -43.09 99.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.428 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.91 -41.04 95.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.691 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 -38.23 90.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.244 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.83 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.369 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.1 -40.01 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -63.06 -40.04 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.64 -40.68 97.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.716 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.1 p -64.56 -37.49 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.538 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -39.4 94.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.8 -38.21 88.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.4 mm-40 -92.68 2.12 56.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 72.67 -38.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 95' ' ' GLU . 0.7 OUTLIER -170.58 -66.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.267 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -151.26 -51.99 0.13 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.68 149.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -76.03 124.5 27.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.8 p -62.84 -23.41 67.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.613 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.89 -38.97 93.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -62.3 -40.99 98.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.424 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.51 96.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.85 -39.89 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.87 -42.35 98.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.17 -41.74 98.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.95 -42.17 97.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.8 -38.37 90.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.656 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.29 -45.63 93.68 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.45 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -66.48 -40.67 89.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.697 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.85 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.79 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -45.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.75 95.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -41.8 97.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.515 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.9 p -62.43 -38.94 91.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.57 -37.49 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -76.91 -16.89 59.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.725 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.5 t -72.11 137.33 46.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 22.7 p -76.8 160.98 28.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 122' ' ' ARG . 2.3 mpt_? -70.41 149.79 95.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.526 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -67.64 146.43 73.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.148 1.898 . . . . 0.0 111.911 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 m -65.91 142.74 57.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.525 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -83.58 123.58 29.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.76 83.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 38.4 t -77.95 -18.9 55.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.645 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.09 15.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t -86.39 134.19 33.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.48 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -71.37 142.66 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.545 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.49 149.83 69.13 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.641 2.227 . . . . 0.0 111.751 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' -2' ' ' LEU . 0.4 OUTLIER -154.6 175.75 13.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.397 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 171.93 -175.85 45.17 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 -18.22 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.81 -13.04 54.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -83.0 -5.07 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 0.0 111.067 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.54 125.02 40.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.415 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.21 132.0 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.448 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -84.83 144.58 28.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -76.18 131.45 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -81.56 168.53 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.33 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -60.14 -38.47 83.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.997 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -64.83 -40.51 95.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.422 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.47 -38.52 91.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.598 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -60.75 -48.23 82.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.74 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.458 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.32 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.489 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.51 93.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.107 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 92' ' ' SER . 93.0 mt -67.52 -43.49 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.0 110.719 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.3 -38.6 90.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.31 -40.33 97.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.524 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' A' ' 97' ' ' ARG . 89.6 p -61.68 -39.94 93.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.38 -38.38 89.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.797 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.01 -36.38 83.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.622 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 76.1 mm-40 -73.09 -7.16 50.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 78.46 26.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.693 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' A' ' 92' ' ' SER . 61.6 ttm-85 -60.63 -44.6 96.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.366 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -106.45 130.98 54.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 110.082 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -67.06 137.81 24.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.408 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 32.1 m120 -78.28 127.32 32.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.628 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.3 p -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.277 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -62.95 -40.66 98.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.464 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.27 -40.65 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.369 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -63.94 -40.95 97.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.552 -179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.59 -42.25 99.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.06 -39.79 91.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.86 -39.07 93.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.704 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.88 -40.35 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.95 -39.61 83.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.11 -41.91 98.7 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.817 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -68.07 -38.56 82.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -61.79 -42.22 98.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.82 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.703 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.72 -45.87 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.9 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -63.99 -41.89 97.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.4 m -62.71 -40.37 96.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.44 -37.27 86.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.705 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.69 -13.37 59.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.6 m -77.12 151.0 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.3 145.86 32.25 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.483 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -69.17 149.55 97.56 Favored Pre-proline 0 N--CA 1.451 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.51 149.67 68.76 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.5 2.133 . . . . 0.0 111.992 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.9 m -66.9 146.51 54.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.372 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 129' ' ' THR . 38.0 t70 -77.95 119.74 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.54 87.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.1 p -77.73 -16.02 58.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.768 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.47 6.63 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.634 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.534 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 91.0 m -66.03 132.24 48.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -70.7 149.26 47.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.612 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.45 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.59 87.69 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.915 2.41 . . . . 0.0 111.944 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp 55.45 97.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.3 76.45 0.14 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 96.8 p -61.65 -25.34 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.443 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -69.85 -32.06 70.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.91 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -92.14 -11.54 35.36 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 111.277 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -89.75 124.44 42.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.641 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.51 158.49 20.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.26 132.85 48.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.513 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.79 131.82 36.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.693 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -81.8 168.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.193 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.071 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -41.2 97.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.59 -39.76 94.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.5 t80 -61.37 -47.84 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.43 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.6 96.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.257 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.7 -40.68 97.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.333 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.99 90.89 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.249 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.6 mt -67.42 -39.05 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.424 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -63.34 -41.61 98.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.0 mtp -63.02 -39.87 96.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.679 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -62.15 -40.77 97.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.4 -38.98 88.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.657 ' NE2' ' NH1' ' A' ' 111' ' ' ARG . 88.2 mt-30 -65.52 -35.01 79.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 95.6 mt-10 -71.21 -10.89 60.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 73.39 38.92 0.62 Allowed 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.671 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -52.97 -41.61 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.932 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.64 9.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.121 0.486 . . . . 0.0 110.504 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.69 153.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -72.8 135.73 45.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.085 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.0 p -54.5 -31.57 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.155 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -62.54 -41.11 98.67 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 110.314 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.5 -37.32 87.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.144 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.45 -38.57 90.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.07 -44.7 96.99 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.76 -37.3 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.564 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.41 -38.45 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.547 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -61.83 -39.81 93.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.418 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.91 -40.36 96.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.483 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.05 -42.89 99.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.657 ' NH1' ' NE2' ' A' ' 94' ' ' GLN . 83.4 mtp180 -62.16 -38.58 89.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.567 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -45.56 93.82 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.543 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.17 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.99 -43.86 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.632 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.38 -41.99 98.81 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.293 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.9 p -64.33 -40.69 96.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.27 -35.63 61.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -75.14 -13.87 60.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.3 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -66.66 143.52 56.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.6 p -77.65 162.91 26.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -68.8 149.91 97.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.7 148.76 87.23 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.176 1.917 . . . . 0.0 111.941 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.3 p -71.49 160.87 31.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.99 162.75 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.14 68.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -77.82 -2.39 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.557 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.62 14.01 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.4 m -89.53 130.44 35.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.387 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -70.44 133.41 46.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.698 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.494 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 51.2 Cg_exo -54.95 -38.46 93.0 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.667 2.245 . . . . 0.0 111.949 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -108.28 -31.11 8.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.77 170.5 37.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.1 m -73.41 -16.23 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -73.31 -13.67 61.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -85.06 -0.54 54.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.2 mm -86.48 124.22 40.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.14 164.88 26.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 26.8 mp0 -61.75 145.58 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mtp -76.15 130.86 38.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.685 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.3 p -82.27 169.21 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.577 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.78 -38.81 82.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.39 -39.21 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.84 -40.12 96.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CE2' HD11 ' A' ' 89' ' ' LEU . 88.6 t80 -61.39 -47.47 85.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.78 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.081 0.467 . . . . 0.0 110.387 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.77 -41.36 97.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.46 89.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.317 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 85' ' ' PHE . 84.9 mt -64.18 -40.36 95.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 39.8 ttmt -61.99 -41.71 98.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.13 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.42 -36.56 81.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.377 0.608 . . . . 0.0 110.346 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.1 p -62.16 -27.93 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -62.94 -40.24 97.05 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.753 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 22.6 mp0 -70.28 -31.26 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.385 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.4 mt-10 -73.37 -12.37 60.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.743 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.81 35.89 1.66 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.816 0.341 . . . . 0.0 110.654 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -82.67 -91.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -66.85 -1.18 3.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.978 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' ASN . 27.4 t -64.82 154.03 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.541 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' N ' HG12 ' A' ' 99' ' ' VAL . 34.1 m120 -70.12 128.06 34.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.403 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.3 p -58.65 -16.19 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.093 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -58.97 -29.71 67.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.084 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.8 -43.2 98.45 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.46 -40.3 89.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.6 -36.55 82.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.17 -44.81 94.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.221 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.52 -40.44 97.03 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.453 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.61 -40.83 97.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.51 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.32 -40.08 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.7 -44.2 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.308 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -60.46 -42.14 95.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.07 -38.9 90.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.258 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.52 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.291 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.06 -43.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.257 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.67 97.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.63 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -64.27 -41.0 97.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.603 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.0 m -61.3 -39.8 91.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.382 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.73 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -75.95 -17.21 59.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.0 t -86.46 156.73 20.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.538 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 53.8 t -74.13 140.09 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.23 147.99 98.27 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.08 152.72 67.77 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.501 2.134 . . . . 0.0 112.134 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.6 m -65.11 140.4 58.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.385 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 64.7 t0 -74.53 134.75 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.675 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.91 -36.14 78.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 66.4 m -85.81 -9.32 57.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.1 -5.05 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.411 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 64.4 p -84.05 155.24 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -80.81 142.77 33.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.698 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.0 -24.2 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.775 2.316 . . . . 0.0 111.95 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.436 ' CG ' ' H ' ' A' ' -1' ' ' GLY . 4.7 tp 45.94 -142.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.451 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.436 ' H ' ' CG ' ' A' ' -2' ' ' LEU . . . 86.11 99.67 0.76 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 98.7 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.353 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -62.74 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -85.88 -8.37 58.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.149 0.5 . . . . 0.0 110.892 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -88.83 124.53 41.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.265 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.99 122.75 20.58 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.65 135.41 33.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -77.16 147.08 36.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -81.16 165.34 21.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.94 -43.25 98.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.912 0.387 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.74 -41.17 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.493 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.76 -42.5 99.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CE2' HD11 ' A' ' 89' ' ' LEU . 87.9 t80 -61.49 -48.32 81.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.408 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.73 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.399 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.35 -42.09 98.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.355 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.72 91.99 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.164 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.5 mt -64.52 -40.21 95.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.87 -40.12 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.7 ttp -63.53 -42.23 98.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 86.2 p -62.26 -40.11 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.697 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -65.21 -38.71 91.3 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.631 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.82 -38.37 90.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 110.642 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.1 mt-10 -89.36 -11.29 43.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 71.12 -49.33 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -145.13 -164.12 1.86 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.01 -39.37 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.97 152.6 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.125 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.74 126.15 30.45 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.056 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.0 p -62.87 -32.08 73.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.159 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.92 -41.94 98.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.021 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.08 -38.92 92.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.296 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.57 -40.25 96.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.454 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.48 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.25 -39.56 94.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.63 93.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.48 -41.27 98.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.32 -38.37 89.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.192 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.52 -45.17 95.31 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.34 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -60.57 -39.98 90.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.232 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -62.91 -37.24 86.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.962 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.37 93.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.058 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 114' ' ' ILE . 2.3 mp -63.06 -46.62 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.898 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.38 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.1 p -59.78 -33.93 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.114 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.8 mm? -67.8 -37.51 82.1 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.67 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.81 -18.19 38.52 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.747 0.308 . . . . 0.0 111.104 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -87.64 158.13 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.13 167.28 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.969 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -58.77 149.19 65.12 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.879 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -54.29 143.25 65.74 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 121.866 1.711 . . . . 0.0 112.383 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -70.75 160.36 32.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.334 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.425 ' OD2' ' OG1' ' A' ' 129' ' ' THR . 57.0 t0 -68.85 129.02 38.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.18 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.697 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.0 p -76.4 -11.92 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.58 5.91 2.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.425 ' OG1' ' OD2' ' A' ' 125' ' ' ASP . 73.1 p -78.62 155.96 29.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.06 141.86 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.205 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.546 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.12 -38.72 94.43 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.855 2.37 . . . . 0.0 112.296 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.6 154.31 28.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 174.41 -157.03 24.33 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 t -60.79 -30.42 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.454 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -67.95 -32.91 73.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -86.25 -13.2 47.51 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.217 0.532 . . . . 0.0 111.051 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.2 mt -88.03 123.23 40.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.61 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.49 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.588 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.94 151.8 43.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 85.1 mmm -65.53 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.337 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.2 p -83.38 167.79 17.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -61.74 -39.25 90.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.289 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.17 -40.2 96.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.09 -41.41 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.735 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -62.09 -47.88 82.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.21 79.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.243 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -44.07 96.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.686 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.15 95.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.29 -38.4 84.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.326 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -62.4 -42.21 99.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.187 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 93.4 mmm -64.06 -40.1 95.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -62.18 -40.76 97.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.06 -38.78 92.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -64.74 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 97' ' ' ARG . 97.8 mt-10 -73.08 -23.89 60.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.27 -32.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 95' ' ' GLU . 47.2 ttp180 54.47 49.75 17.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.236 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG2' ' H ' ' A' ' 99' ' ' VAL . 10.2 tt0 -152.92 -176.59 5.83 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.458 ' H ' ' HG2' ' A' ' 98' ' ' GLU . 2.1 t -66.6 149.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 40.0 p-10 -76.16 126.11 30.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -61.7 -22.69 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.475 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -61.39 -39.58 91.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.395 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.25 -39.69 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.634 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.02 -41.96 99.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.89 -39.44 91.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.96 -41.56 96.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.663 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.98 -39.04 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.45 -45.17 95.42 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.318 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.63 -41.14 89.76 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.23 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' O ' ' OE1' ' A' ' 116' ' ' GLU . 66.6 mmtt -62.54 -35.77 80.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.054 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.88 91.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.8 -41.57 93.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.891 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.43 94.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' OE1' ' O ' ' A' ' 112' ' ' LYS . 1.9 mp0 -67.99 -34.85 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.616 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.4 t -60.63 -42.73 97.48 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.579 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -33.0 62.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -93.73 7.0 46.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' GLU . 35.9 t -63.72 139.69 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.8 p -75.94 164.89 25.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.514 ' H ' ' HD3' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -70.5 149.84 95.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.697 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.04 154.78 70.02 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.63 2.22 . . . . 0.0 112.208 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.7 p -68.62 161.11 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.22 160.62 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -24.83 64.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 94.1 p -80.24 -4.78 54.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.716 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.12 4.97 1.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.519 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 57.8 p -83.97 155.08 22.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.563 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -85.23 145.55 27.51 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.721 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.566 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.518 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 33.6 Cg_exo -59.19 147.87 88.62 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.877 2.385 . . . . 0.0 111.436 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' -2' ' ' LEU . 0.2 OUTLIER -59.32 -53.51 57.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.126 -179.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -165.72 138.6 5.32 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.1 p -71.31 -16.94 62.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 110.66 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.12 -21.1 64.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.43 -6.14 58.55 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.987 0.423 . . . . 0.0 111.034 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.4 mt -87.17 128.53 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.39 150.55 48.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.451 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.03 115.71 4.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 0.0 110.622 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.416 ' CA ' HH22 ' A' ' 111' ' ' ARG . 24.8 ptt? -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.719 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 p -82.13 167.07 19.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.09 -40.53 96.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.151 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.04 -39.88 90.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.474 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.43 ' HG2' HH12 ' A' ' 111' ' ' ARG . 9.7 tp-100 -62.26 -41.92 98.87 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.777 0.323 . . . . 0.0 110.464 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -61.73 -49.15 77.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.437 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.63 86.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.379 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.69 -42.57 97.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.91 93.67 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.662 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.63 -42.47 82.25 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.708 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -39.17 91.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.1 ttm -62.71 -42.58 99.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.478 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.2 m -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.567 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.61 -39.47 91.55 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.599 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.55 -37.83 87.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.8 mm-40 -73.73 -14.15 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.35 36.07 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.763 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 24.7 ttm180 83.32 152.13 0.09 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.64 0.587 . . . . 0.0 109.916 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.85 94.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.49 148.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.448 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.71 130.2 37.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.2 t -58.79 -40.97 85.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.098 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 26.9 mp0 -62.3 -40.36 96.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -63.84 -40.61 97.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.054 0.454 . . . . 0.0 110.187 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.26 -39.01 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.586 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.9 -43.94 97.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.524 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.75 -40.52 95.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.83 -38.65 91.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.41 -43.43 98.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.455 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.11 -41.29 97.32 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.89 -43.72 91.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.43 HH12 ' HG2' ' A' ' 84' ' ' GLN . 61.2 ttt85 -60.55 -41.9 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.424 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.01 -43.9 98.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.98 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.69 -42.51 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.122 0.487 . . . . 0.0 110.322 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.53 92.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.528 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.0 -42.11 97.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.379 . . . . 0.0 110.355 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.5 p -62.66 -38.38 90.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.625 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.5 mt -69.8 -36.83 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.04 -13.84 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.1 p -70.35 158.28 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.294 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.21 141.75 38.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -72.24 149.02 91.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 148.06 82.15 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.013 1.808 . . . . 0.0 111.954 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.4 p -70.97 160.63 32.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -79.39 125.12 29.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.341 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.88 -11.98 49.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.646 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.3 p -77.43 -13.96 59.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.687 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.31 14.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.403 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.8 m -66.33 130.78 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -70.58 146.73 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.525 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.574 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.14 -11.45 31.68 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.941 2.427 . . . . 0.0 112.075 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' -2' ' ' LEU . 10.7 mp -55.55 144.72 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 158.22 -112.15 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.3 t -61.34 -24.21 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -67.23 -12.94 61.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.663 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -85.17 -5.01 59.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.112 0.482 . . . . 0.0 110.999 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 34.5 mm -87.27 124.36 40.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.353 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.2 134.3 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 25.2 mp0 -81.45 122.24 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.976 0.417 . . . . 0.0 110.361 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -78.89 153.03 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 p -77.49 168.02 20.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.289 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.26 -43.26 96.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.304 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -67.03 -41.98 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.825 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.62 -40.32 96.6 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -61.59 -46.34 90.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.199 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.63 88.2 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.981 0.42 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 11.3 tp -61.59 -34.57 75.84 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.838 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.83 79.6 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.802 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.0 -45.61 91.59 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.726 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -71.12 -30.21 66.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.249 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.5 -43.08 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.243 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -65.46 -41.31 93.55 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.35 -40.03 95.07 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.781 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER -65.0 -37.56 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.926 0.393 . . . . 0.0 110.377 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.3 mt-10 -73.1 -20.08 61.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.408 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.52 33.98 2.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -172.04 -145.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 67.93 -125.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 99' ' ' VAL . 2.2 t -66.0 151.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.476 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -75.07 127.19 32.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.286 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -57.36 -37.11 72.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.438 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.47 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 54.0 tt0 -62.85 -43.44 98.78 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 0.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.66 -37.02 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.155 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.42 -38.09 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.468 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.43 -44.78 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.456 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 3.8 mp0 -67.11 -41.34 86.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.716 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.69 -39.62 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -63.11 -43.75 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.17 -39.74 94.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.42 -43.74 98.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.98 -43.93 94.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.65 -38.73 91.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.67 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.24 95.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.598 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.29 -43.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.567 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.28 96.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.42 -39.54 94.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -61.25 -41.37 96.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.63 -36.78 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -92.59 0.6 57.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.493 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -76.4 147.39 38.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.732 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 90.1 m -75.72 164.7 26.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.62 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -67.64 150.68 97.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 146.52 59.76 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.23 1.954 . . . . 0.0 112.18 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.7 m -66.58 147.19 53.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.73 133.25 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.89 82.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.726 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 32.7 t -76.61 -18.43 58.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.52 16.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 129' ' ' THR . 13.3 t -75.35 130.82 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -76.44 145.1 39.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.593 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.01 -25.16 51.94 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.722 2.281 . . . . 0.0 111.799 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -74.78 129.53 37.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.475 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.29 1.21 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 74.8 m -69.52 -20.94 63.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 12.0 mpt_? -66.96 -16.37 64.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.489 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -89.5 3.86 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.29 123.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.207 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.28 107.5 20.04 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.669 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -83.24 145.22 29.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.9 mtm -71.57 135.96 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.466 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.5 p -82.29 167.18 18.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.77 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -63.64 -41.74 98.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -63.47 -40.9 98.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.15 -46.42 89.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.08 85.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.738 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.0 mt -62.86 -37.1 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.779 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.64 94.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.547 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 89' ' ' LEU . 9.2 mp -65.21 -39.49 92.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.603 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.94 -40.48 97.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.01 -39.74 94.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.699 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 97' ' ' ARG . 48.5 t -61.68 -41.94 98.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.25 -38.91 92.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.42 -37.13 86.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 97.2 mt-10 -73.59 -12.01 60.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.762 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 71.67 27.95 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 92' ' ' SER . 14.3 tpp180 44.18 95.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 47.5 -111.09 0.36 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.423 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.92 138.89 18.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -77.74 124.5 28.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.562 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.4 t -60.77 -41.04 94.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.548 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.29 -40.98 96.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.24 -40.47 97.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -64.03 -40.34 96.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.6 -41.0 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.408 . . . . 0.0 110.278 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.88 -40.49 96.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.275 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.05 -42.28 98.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.28 -41.15 98.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.16 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.491 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.3 -43.85 97.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.42 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -60.34 -43.78 96.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.469 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.34 -40.78 98.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.11 94.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.98 -45.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.573 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.551 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.7 m -62.05 -40.64 96.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.15 -37.36 87.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -82.79 -17.5 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t -87.2 137.7 32.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.373 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 82.9 m -92.93 141.33 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.8 ptt85 -69.57 148.63 96.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.53 148.18 65.96 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.373 2.049 . . . . 0.0 112.132 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.8 p -71.72 159.74 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.502 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 129' ' ' THR . 67.9 t0 -83.38 118.28 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.35 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.4 m -83.49 -19.65 35.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.686 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 75.31 -3.25 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.594 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.427 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 14.3 t -70.66 145.91 50.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.618 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.2 ptp180 -70.54 149.86 46.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.653 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.484 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 37.9 Cg_endo -64.35 -22.34 66.23 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.879 2.386 . . . . 0.0 111.865 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.99 128.44 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.124 0.488 . . . . 0.0 110.381 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.22 69.44 1.39 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 t -66.22 -28.22 68.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.729 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -66.54 -14.44 62.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.58 -3.88 58.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.23 134.63 27.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.198 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.34 156.11 26.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.243 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -55.44 134.19 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.507 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.2 mtt -78.59 140.56 38.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.487 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 170.06 17.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.281 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.62 -44.04 80.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -64.59 -43.08 94.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.83 0.348 . . . . 0.0 110.765 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.34 -39.68 94.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.82 -43.11 99.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.14 93.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.97 -42.37 99.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.41 86.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.75 -39.36 94.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.65 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.16 -39.88 94.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.304 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.0 ttp -67.59 -40.33 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.817 0.342 . . . . 0.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.9 p -62.38 -28.3 69.67 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.819 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.28 -36.34 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.428 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -63.35 -37.36 86.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.157 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 77.8 mm-40 -83.96 -10.52 57.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.217 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.36 17.28 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.316 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 54.28 13.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.245 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -149.0 -122.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.456 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.63 150.7 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' OE1' ' A' ' 95' ' ' GLU . 12.8 m120 -76.96 128.39 34.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.46 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -59.11 -30.09 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.917 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -40.92 98.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -64.11 -39.51 94.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.337 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.99 98.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -41.99 99.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.355 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.18 -39.92 91.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.514 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -61.36 -38.34 86.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.755 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.39 -40.56 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.537 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.59 -46.41 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.911 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.14 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.659 -0.416 . . . . 0.0 109.915 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.46 -43.88 98.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.172 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.22 -42.15 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.692 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.04 95.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.389 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -45.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.535 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.4 91.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -63.17 -41.86 99.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.016 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -40.55 96.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.603 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.0 -36.08 74.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -74.82 -15.88 60.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.4 m -65.8 153.35 42.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.9 p -75.23 163.69 27.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.509 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.71 147.26 98.65 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.841 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.43 152.04 65.59 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.514 2.143 . . . . 0.0 112.191 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.4 t -63.58 145.55 55.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.491 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.09 148.34 31.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.2 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.8 m -78.05 -15.45 58.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.01 -7.03 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.9 p -83.09 155.46 23.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -76.39 141.37 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.486 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 38.6 Cg_exo -57.27 140.59 93.37 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.77 2.313 . . . . 0.0 111.803 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -114.04 135.98 53.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.014 0.435 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.95 84.33 0.1 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.6 m -66.96 -16.03 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -62.36 -29.91 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -84.46 -8.86 58.81 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 111.049 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.4 mp -87.53 126.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.091 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.68 158.42 25.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.362 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -65.67 155.1 36.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -64.32 142.56 58.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.401 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.8 p -80.08 167.88 19.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.441 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -61.56 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.152 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.54 -43.15 97.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -63.23 -41.02 99.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.77 -48.59 79.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.497 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -39.86 91.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.745 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.1 tt -65.12 -38.82 91.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.294 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.68 94.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.45 -43.22 81.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.76 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.01 -41.28 99.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 16.9 tpt -64.86 -40.96 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.411 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.2 p -63.24 -38.97 93.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.18 -39.71 93.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.4 -37.98 89.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.528 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 81.0 mm-40 -77.69 -17.8 57.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 67.75 28.93 7.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 95' ' ' GLU . 9.7 ptp85 -173.65 -144.88 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 73.19 157.1 0.18 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 99' ' ' VAL . 1.8 t -74.6 140.81 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.226 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.63 127.09 31.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.443 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.1 t -54.69 -19.74 6.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.307 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -61.19 -36.13 79.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.64 -40.09 93.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.327 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.6 -40.63 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.638 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.06 -40.85 97.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.202 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.08 -41.2 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.323 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.88 -43.62 98.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.337 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.8 -42.13 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.79 -38.59 89.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.307 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.53 -44.79 96.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.331 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.22 -43.81 95.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.718 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.53 -40.7 97.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.313 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.09 98.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.89 -43.67 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.704 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.04 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.114 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.71 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.8 t -60.77 -41.81 96.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.822 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.4 -37.18 84.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.237 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -76.02 -16.88 59.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.3 m -86.51 140.68 29.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 p -76.74 161.02 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -71.47 132.59 85.56 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.84 149.21 34.34 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.109 1.873 . . . . 0.0 112.447 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.0 p -69.67 159.49 33.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.22 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 129' ' ' THR . 95.7 m-20 -83.66 121.66 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.15 85.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.1 m -89.27 -7.78 54.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.54 -5.5 2.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 58.9 p -82.37 155.17 24.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.217 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.495 ' HD3' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -83.21 150.14 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.465 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.479 179.565 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 50.6 Cg_exo -55.9 -29.27 72.12 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.874 2.383 . . . . 0.0 111.943 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -141.68 159.43 42.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.01 74.12 0.12 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.1 p -70.25 -10.74 59.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.924 0.393 . . . . 0.0 110.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -66.68 -18.7 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -85.09 -7.21 59.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.079 0.466 . . . . 0.0 111.128 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -87.01 125.27 40.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.479 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.37 104.98 17.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.504 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -86.08 153.34 22.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -62.71 136.55 57.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.428 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -81.95 162.5 22.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -62.01 -41.01 97.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -64.62 -41.85 95.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.31 -43.06 99.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 110.507 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.7 t80 -62.9 -45.96 90.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.654 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.36 -40.07 92.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.615 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.31 98.42 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.345 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.0 mt -69.02 -39.88 79.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.16 -41.72 99.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 66.9 ttp -62.98 -42.44 99.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.2 p -62.45 -39.52 93.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.83 -39.48 83.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -69.29 -38.3 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.1 mm-40 -87.07 -10.18 53.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.38 -6.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 95' ' ' GLU . 78.1 ttt180 -88.95 119.04 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 99' ' ' VAL . 16.1 tm-20 -92.79 112.97 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.444 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.42 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 2.8 t -83.54 149.75 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.394 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -76.64 123.11 25.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -67.18 -18.45 65.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.573 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -36.67 80.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.153 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.45 -42.6 99.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.866 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' A' ' 108' ' ' GLU . 58.5 mp0 -68.48 -40.62 80.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.4 -38.23 89.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.33 -42.69 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.071 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.29 -44.7 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.4 OUTLIER -67.72 -41.49 83.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.72 179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.74 -39.28 93.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.29 -44.52 97.09 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.545 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -62.15 -40.77 97.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 110.742 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.4 -36.05 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.574 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.72 95.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.359 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.84 -39.84 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.74 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.42 -42.23 96.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.594 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -61.87 -41.63 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.86 -35.91 79.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.678 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.81 -17.99 61.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.4 t -73.76 139.95 45.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.69 139.45 41.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.97 146.34 84.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.77 149.56 60.64 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.781 2.32 . . . . 0.0 112.296 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.1 p -72.31 156.31 39.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.33 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.412 ' HB3' ' H ' ' A' ' 129' ' ' THR . 29.7 t70 -81.25 156.31 25.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.03 74.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 83.7 p -80.82 1.6 29.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.666 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 81.38 15.5 0.55 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' A' ' 125' ' ' ASP . 84.9 m -81.37 131.91 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.267 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.51 141.59 46.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.642 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.43 -13.69 30.58 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.89 2.394 . . . . 0.0 111.914 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -62.2 -39.31 92.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.729 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 89.96 98.5 1.11 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.4 m -68.5 -25.98 65.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.921 0.391 . . . . 0.0 110.615 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -64.49 -19.24 65.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -86.2 3.05 44.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.4 123.41 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.49 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.7 146.79 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.527 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 78' ' ' GLN . 28.4 mp0 -85.1 117.35 24.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.04 142.24 35.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 84' ' ' GLN . 72.2 p -79.63 169.59 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.501 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.11 -44.43 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.83 -44.76 88.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.057 0.456 . . . . 0.0 110.603 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.558 ' NE2' ' OG1' ' A' ' 80' ' ' THR . 1.0 OUTLIER -65.31 -35.16 80.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.571 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.11 -47.85 84.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.97 96.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.025 0.44 . . . . 0.0 110.266 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.6 -38.31 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.47 89.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.244 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.02 -41.91 97.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.762 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -64.15 -42.15 96.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.24 -38.16 84.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.331 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.6 m -61.61 -41.21 97.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.612 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.14 -39.22 93.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.621 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 98.6 mt-10 -85.46 -10.15 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.82 14.57 8.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -145.48 153.35 41.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.527 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -83.29 65.02 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.72 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.2 t -89.16 141.68 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -77.65 139.65 39.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.076 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.471 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 48.1 t -49.6 -42.42 44.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.207 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.489 ' O ' ' OE1' ' A' ' 105' ' ' GLU . 26.5 mp0 -69.58 -40.25 76.84 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.748 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.79 -28.47 70.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.58 -37.43 78.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.384 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 45.8 mp0 -62.5 -45.31 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.599 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.01 -32.15 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.117 0.484 . . . . 0.0 110.64 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -60.49 -36.99 79.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.334 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.19 -43.49 98.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.326 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 109' ' ' LEU . 9.0 mp -64.9 -40.13 94.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.004 0.431 . . . . 0.0 110.481 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.58 -41.18 98.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.737 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -61.83 -41.67 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.47 -43.08 98.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.71 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.03 -46.77 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.91 -40.83 96.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' SER . 53.0 tp10 -66.47 -39.08 88.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.71 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.5 m -60.58 -41.25 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.476 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -36.04 76.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 33.8 m120 -83.39 -17.62 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.616 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' GLU . 62.3 m -88.58 150.48 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.736 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.98 153.75 32.17 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.752 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -65.22 134.52 95.85 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.747 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.4 147.54 52.81 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.576 2.184 . . . . 0.0 112.413 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.9 t -71.98 139.91 48.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.448 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 41.5 p-10 -62.65 121.26 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.663 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.69 -29.98 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.2 p -78.15 -12.91 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.65 13.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.417 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 97.5 m -78.66 131.16 36.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.516 ' H ' ' HD2' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -74.29 149.41 40.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.615 179.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.25 149.75 58.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.768 2.312 . . . . 0.0 111.952 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.599 ' N ' HD12 ' A' ' -2' ' ' LEU . 8.3 mp -63.41 -40.13 96.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 172.99 90.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.0 p -64.4 -24.11 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.817 0.341 . . . . 0.0 110.653 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.758 ' H ' ' HE ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -72.61 -12.99 61.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -84.81 -5.5 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.718 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.6 mm -86.6 124.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.474 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.28 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.29 146.35 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.5 mtp -78.25 138.22 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.7 p -81.07 167.65 19.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -42.47 94.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -37.72 85.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.68 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -63.38 -40.65 97.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.692 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.67 -47.71 84.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.108 0.48 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.69 84.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.442 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.2 -40.71 94.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.56 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.414 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -66.9 -41.17 87.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.787 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.99 -40.54 98.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.426 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.7 ttt -62.84 -41.45 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ALA . 47.0 t -61.61 -41.75 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.623 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.08 -38.89 92.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -65.19 -37.89 88.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 97' ' ' ARG . 80.5 mm-40 -92.59 -5.35 51.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.74 -32.5 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 95' ' ' GLU . 11.3 tpt180 54.38 26.56 7.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.209 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -138.3 -106.42 0.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.048 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.81 140.68 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -77.66 126.3 30.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.3 m -61.94 -38.95 90.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.09 -41.73 97.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.06 -39.54 93.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.042 0.449 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.18 -40.27 95.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.66 -42.41 99.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.23 -40.21 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.485 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.69 -40.78 98.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.84 -41.07 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -39.13 92.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.458 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.73 -44.93 95.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.486 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -61.06 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.428 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.69 -40.21 96.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.99 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.34 97.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.44 -44.4 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.575 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.69 95.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.732 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.65 -40.3 96.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.4 m -62.8 -40.88 98.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.6 -37.76 87.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -76.03 -17.25 59.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.3 t -84.54 148.85 26.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.3 t -74.95 138.92 42.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.77 151.5 95.26 Favored Pre-proline 0 N--CA 1.45 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.929 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.37 143.71 52.95 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.322 2.015 . . . . 0.0 112.272 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 82.5 p -69.36 160.82 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.67 145.8 55.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.721 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.8 p -77.22 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.94 1.17 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.405 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.6 p -81.18 155.41 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.501 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -81.7 143.05 32.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.561 179.906 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.1 150.83 60.73 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.819 2.346 . . . . 0.0 111.694 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' -2' ' ' LEU . 4.4 mm? 51.57 73.64 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.352 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.79 37.89 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.804 -0.919 . . . . 0.0 110.804 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 95.7 p -64.54 -23.7 67.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.069 0.461 . . . . 0.0 110.697 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -70.95 -15.02 62.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.953 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.08 -9.41 57.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.563 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.77 124.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.508 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.83 107.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.123 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -83.14 136.81 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' A' ' 102' ' ' GLN . 55.4 mtm -75.96 137.51 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.381 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.7 p -82.42 162.98 21.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -59.25 -31.71 69.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.134 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.37 -39.3 92.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.321 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.316 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.53 -48.33 80.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.32 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.008 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.51 -40.27 94.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.96 76.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.248 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.54 -46.97 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -31.31 70.22 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.068 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.3 ttp -63.86 -43.95 94.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.634 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.614 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.97 -39.49 94.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -66.63 -38.61 87.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.592 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.9 mm-40 -77.89 -23.24 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 69.57 -1.76 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 98' ' ' GLU . 20.3 ptp180 -167.43 -158.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.352 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER 79.57 141.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.187 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' N ' ' OE2' ' A' ' 98' ' ' GLU . 2.4 t -65.79 152.09 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.222 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -76.05 125.97 30.13 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.571 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -62.48 -38.14 88.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.096 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' OE1' ' SD ' ' A' ' 79' ' ' MET . 94.6 mm-40 -61.48 -40.62 95.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -63.35 -42.93 98.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.33 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.16 -42.39 93.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.55 -39.62 91.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.058 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -61.46 -42.11 98.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.37 -44.56 96.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.184 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -64.23 -41.32 97.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.62 -39.44 94.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.76 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.16 -45.43 91.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.3 -179.36 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -61.89 -40.2 94.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.662 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.74 95.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.354 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.15 -43.21 92.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 13.9 mm-40 -63.91 -41.96 97.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.55 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 86.6 p -62.82 -38.76 91.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -92.97 -2.02 56.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 53.1 m -68.97 142.88 54.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.633 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 19.6 p -77.8 166.38 23.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -66.82 149.09 98.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.56 149.72 74.38 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.352 2.035 . . . . 0.0 112.124 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.5 m -65.2 145.76 55.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.39 129.47 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.578 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.63 -36.75 81.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.7 m -77.9 -18.11 56.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.662 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.87 7.92 3.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -88.69 131.64 34.92 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -70.45 130.53 42.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.297 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.384 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -60.92 -14.44 32.69 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.982 2.455 . . . . 0.0 111.788 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.68 -41.62 91.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.235 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 120.18 104.44 2.02 Favored Glycine 0 N--CA 1.469 0.847 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.3 m -69.79 -15.25 63.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.953 0.406 . . . . 0.0 110.719 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -61.79 -25.65 67.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -84.71 -3.55 58.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.029 0.443 . . . . 0.0 111.286 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.5 mt -86.17 132.15 32.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 144.22 57.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -67.73 138.87 56.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.57 151.98 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -81.18 166.24 20.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.259 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.07 -41.28 97.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.541 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLN . 2.8 pp20? -70.61 -39.68 73.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 22.5 tm0? -65.36 -40.59 93.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.946 0.403 . . . . 0.0 110.541 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -61.41 -47.99 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.853 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.17 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.762 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.13 -37.64 88.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.668 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.64 95.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.033 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 10.1 mp -67.23 -46.55 73.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.69 -41.4 88.13 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.722 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.05 -42.58 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.547 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.4 p -63.26 -40.53 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.75 -40.14 88.17 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.703 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -64.69 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.519 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 80.8 mm-40 -87.09 -9.42 55.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.59 24.1 7.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -80.64 -102.15 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -79.91 86.72 5.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.47 147.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -76.58 141.32 41.16 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 t -51.75 -38.98 57.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' GLU . 12.9 pt20 -70.28 -42.41 72.12 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.951 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLN . 72.4 mm-40 -65.52 -25.43 67.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.671 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.17 -29.71 67.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.358 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 106' ' ' GLU . 1.9 pp20? -60.58 -44.34 96.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 88.1 tt0 -72.0 -34.36 68.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.175 0.512 . . . . 0.0 110.693 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -59.09 -36.49 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.33 -41.29 96.77 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.864 0.364 . . . . 0.0 110.643 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 109' ' ' LEU . 9.4 mp -63.42 -39.62 94.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.258 179.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 114' ' ' ILE . 17.9 mt -62.31 -41.63 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -60.04 -43.42 95.34 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.17 -41.3 99.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.94 99.87 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 110' ' ' LEU . 1.6 mp -70.29 -39.81 77.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.407 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.43 95.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.26 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.2 -40.21 90.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -63.72 -38.6 91.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.73 -37.9 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -79.89 -17.59 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -86.91 153.59 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.472 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.84 140.38 45.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.19 128.88 94.2 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.072 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.29 147.14 57.39 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.032 1.821 . . . . 0.0 112.472 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -65.01 139.04 58.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.181 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' A' ' 129' ' ' THR . 10.5 p-10 -81.38 148.5 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.436 . . . . 0.0 110.726 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.48 -19.91 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.8 p -76.05 -15.22 60.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.706 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 76.97 7.28 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.579 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' ' OD2' ' A' ' 125' ' ' ASP . 59.2 p -78.94 155.94 28.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.509 ' CD ' ' H ' ' A' ' 130' ' ' ARG . 0.0 OUTLIER -76.05 146.91 39.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.705 179.711 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.39 139.24 86.42 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.7 2.267 . . . . 0.0 111.819 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.8 tp -125.06 122.38 37.04 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.245 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.04 128.89 2.99 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.426 ' HA ' HD12 ' A' ' 76' ' ' ILE . 66.2 m -70.62 -16.26 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.049 0.452 . . . . 0.0 110.355 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -64.81 -25.37 67.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -86.79 -6.37 58.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.052 0.454 . . . . 0.0 110.77 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 0' ' ' SER . 79.2 mt -88.0 125.05 41.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.741 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.27 153.93 42.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.559 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.23 132.1 51.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.627 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 67.2 mtt -79.88 136.14 36.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.47 ' OG1' ' OE1' ' A' ' 84' ' ' GLN . 48.9 p -81.67 168.66 17.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.336 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -59.02 -44.32 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.025 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.77 -45.66 88.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' OE1' ' OG1' ' A' ' 80' ' ' THR . 2.4 mp0 -63.88 -40.3 96.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CE2' HD11 ' A' ' 89' ' ' LEU . 90.7 t80 -61.5 -47.86 83.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.94 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.79 -38.93 92.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.746 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.25 95.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.524 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.4 mt -65.7 -40.23 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.718 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.45 -40.2 96.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.03 -40.66 96.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.8 p -61.31 -38.15 85.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.454 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.98 -37.32 81.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -64.79 -19.68 65.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 78.5 mm-40 -70.44 -13.08 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.472 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 74.36 35.5 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.297 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -71.79 80.53 0.87 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.106 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 63.6 15.44 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.0 t -88.54 152.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -75.16 127.45 33.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.228 0.537 . . . . 0.0 110.443 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -60.49 -41.85 95.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.707 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.94 -40.12 94.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.352 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.6 -40.11 96.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.411 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.83 -39.4 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.743 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.02 -45.2 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.083 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.0 -40.08 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.863 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.19 -42.17 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.15 -42.29 99.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.617 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.55 -42.04 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.1 mt -65.82 -39.8 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.439 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.59 -44.55 96.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.6 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.89 98.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.78 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.0 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.3 98.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.65 -41.87 95.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.0 p -62.16 -39.34 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.814 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.44 -37.66 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.76 -10.49 58.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.285 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -80.49 145.94 31.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 17.1 p -75.2 166.21 23.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.152 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.84 151.53 95.17 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.173 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.58 143.51 78.51 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 122.288 1.992 . . . . 0.0 112.809 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.2 p -73.05 161.7 30.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 48.9 p-10 -72.69 130.23 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.136 0.494 . . . . 0.0 111.168 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.94 -35.52 78.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 75.3 m -77.06 -17.48 58.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.027 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.64 15.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.69 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 94.4 m -67.27 131.88 46.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.659 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.0 tpt85 -74.94 129.47 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.166 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.39 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 48.8 Cg_exo -54.18 -37.17 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.582 2.188 . . . . 0.0 112.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.93 -23.33 12.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.03 21.8 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.9 p -71.01 -16.39 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 110.591 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.38 -17.22 64.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.411 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -84.62 -7.97 59.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 0.0 110.401 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.9 mt -83.58 124.5 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.99 132.95 33.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -84.71 133.87 34.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.5 142.56 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.532 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.6 p -80.75 166.92 20.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.606 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.0 -41.4 96.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.01 -38.47 86.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.49 -40.92 98.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.19 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 89' ' ' LEU . 86.4 t80 -60.85 -48.82 80.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.271 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.43 -42.91 99.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.21 93.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.52 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 85' ' ' PHE . 89.1 mt -64.31 -41.01 97.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.07 -41.2 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.38 -38.81 92.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.351 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.5 m -61.65 -41.43 97.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' A' ' 89' ' ' LEU . 1.3 mp0 -67.72 -38.67 83.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.03 -37.63 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.5 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 99.2 mt-10 -90.48 -4.38 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.489 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 70.95 -17.77 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.607 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.531 ' H ' ' C ' ' A' ' 95' ' ' GLU . 55.2 ttt180 41.1 37.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -160.35 -92.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.242 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.46 144.88 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -77.84 126.27 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.09 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -62.62 -35.95 81.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.742 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.582 ' H ' ' CD ' ' A' ' 102' ' ' GLN . 9.2 pm0 -66.56 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.98 -39.93 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.005 0.431 . . . . 0.0 109.901 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.99 -40.65 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.041 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.694 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.41 -40.12 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.38 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.8 -42.96 98.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.465 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.31 -41.95 98.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.67 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.48 -39.66 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.92 -44.77 96.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -61.19 -42.18 98.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.34 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.91 -43.65 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.68 97.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.697 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.77 -43.47 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.513 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.05 88.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.53 -38.62 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.696 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -61.76 -42.5 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? -72.42 -36.03 68.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.048 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -79.61 -13.45 59.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.604 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -83.5 132.89 34.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 93.8 m -78.11 159.9 28.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.16 148.69 95.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.811 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.14 148.95 85.83 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.246 . . . . 0.0 112.111 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.8 t -63.05 142.04 58.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.7 150.33 47.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.396 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.32 -27.5 67.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.548 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 81.3 p -77.02 -11.21 59.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.78 14.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -71.8 131.48 43.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -72.29 133.67 45.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.61 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.0 140.32 92.22 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.75 2.3 . . . . 0.0 111.898 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' -2' ' ' LEU . 9.1 mp -63.92 -39.95 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 111.22 96.91 2.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 71.8 m -70.53 -16.78 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -69.86 -17.09 63.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.733 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -92.28 5.31 51.0 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.329 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.5 mm -86.14 124.4 40.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.96 155.17 21.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.418 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -79.47 123.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.4 mtm -79.3 139.9 37.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.3 p -80.44 167.98 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -59.36 -43.8 92.8 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.093 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.08 -42.24 94.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.22 -40.01 96.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.77 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 89' ' ' LEU . 93.6 t80 -61.12 -48.63 80.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.24 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.649 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -65.17 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.448 . . . . 0.0 110.188 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.74 94.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.105 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 85' ' ' PHE . 97.6 mt -64.53 -40.87 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -64.07 -40.72 96.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 tpp -64.04 -40.54 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.06 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.5 t -61.31 -41.92 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.539 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 76.6 mm-40 -62.89 -39.16 93.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.525 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 79.6 mm-40 -82.28 0.07 43.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 68.13 29.01 6.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.451 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 95.6 mtt-85 57.62 28.24 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.753 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -97.71 -49.43 4.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.93 147.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.027 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' OD1' ' OE1' ' A' ' 102' ' ' GLN . 64.6 t30 -76.89 120.47 22.07 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.52 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -81.67 -24.15 36.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.439 ' OE1' ' OD1' ' A' ' 100' ' ' ASN . 23.0 mp0 -61.45 -41.47 97.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.723 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -66.47 -40.12 89.18 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 96.1 mt-10 -66.61 -40.92 89.06 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.703 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -63.43 -41.42 98.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -41.59 97.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.55 -37.38 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.318 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.56 -44.97 96.07 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.037 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.81 -43.93 97.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 116' ' ' GLU . 98.4 mttt -62.57 -40.89 98.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.06 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.627 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.95 -44.31 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.192 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.7 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.47 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -65.36 -41.01 94.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.614 179.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.2 m -61.96 -41.41 97.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.605 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.5 mt -70.44 -36.6 74.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.72 -10.54 59.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.9 t -63.92 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.02 153.01 33.42 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.066 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.8 129.26 91.45 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.776 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.99 142.68 52.63 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 C-N-CA 121.656 1.57 . . . . 0.0 112.596 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -62.39 140.45 58.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.25 141.52 57.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.516 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.68 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 67.2 m -82.53 -12.05 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.49 12.61 2.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -77.86 148.07 34.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.658 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.82 141.5 51.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.637 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.747 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 32.1 Cg_exo -58.21 147.79 82.08 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.741 2.294 . . . . 0.0 111.645 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.5 -44.59 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.3 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.03 -163.27 33.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.1 m -62.15 -15.88 48.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.801 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.74 -27.54 68.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -86.24 -6.88 58.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 111.093 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.4 mp -87.24 128.11 40.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.203 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.1 140.2 54.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.082 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -84.34 144.35 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.729 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 79.1 mtm -78.28 133.4 37.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.382 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' A' ' 84' ' ' GLN . 35.3 p -81.94 170.48 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.466 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.75 -39.36 73.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.84 -40.2 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.67 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' OE1' ' OG1' ' A' ' 80' ' ' THR . 3.7 mp0 -63.1 -38.54 91.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.355 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 89' ' ' LEU . 92.5 t80 -60.95 -47.72 85.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.608 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.12 96.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 110.626 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.26 -37.99 88.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.74 93.91 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.147 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.2 mt -64.38 -40.91 96.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.526 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.08 -37.89 81.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.776 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.6 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.57 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -60.82 -29.91 69.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.465 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.1 -39.2 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.447 . . . . 0.0 110.614 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -67.58 -36.8 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.632 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 76.8 mm-40 -75.77 2.45 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 95' ' ' GLU . . . 79.65 26.88 0.37 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -118.87 149.53 41.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.48 29.2 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.462 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.3 152.81 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.455 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -75.01 127.49 33.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.358 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 t -53.22 -20.29 3.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.58 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.11 -39.33 89.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.196 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.16 -40.83 98.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.929 0.395 . . . . 0.0 110.107 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.56 -40.4 95.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.499 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -61.5 -43.94 97.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.503 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.98 -42.22 98.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.466 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.49 -42.02 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.23 -40.46 96.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.55 -41.92 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.647 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.16 -40.57 94.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.673 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.4 -42.59 99.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.382 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.32 96.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.406 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.22 -45.33 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.09 96.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -64.72 -41.71 95.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.0 p -62.04 -38.87 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.87 -37.02 85.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -80.26 -14.94 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -83.62 151.05 25.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.4 p -76.29 160.64 29.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.556 ' H ' ' NE ' ' A' ' 122' ' ' ARG . 0.1 OUTLIER -71.1 149.57 94.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.57 144.87 50.93 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.301 2.001 . . . . 0.0 111.951 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.6 t -73.58 138.78 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.259 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 129' ' ' THR . 97.6 m-20 -80.68 121.76 26.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.29 86.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.708 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 87.9 p -80.53 -15.4 56.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.41 10.93 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.421 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 97.7 m -85.13 130.38 34.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -70.26 148.73 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 stop_ save_