data_2ezs_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 2ezs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 031 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.723 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.578 ' NH1' HD21 ' B' ' 99' ' ' ASN . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 31' ' ' THR . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.527 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.668 HD22 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.668 ' NH2' HD22 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.68 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.672 HD22 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.459 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.553 HD21 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 109' ' ' ILE . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.723 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.764 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.614 ' NH1' HD21 ' C' ' 99' ' ' ASN . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' B' ' 31' ' ' THR . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.533 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.674 HD22 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.674 ' NH2' HD22 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.676 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.68 HD22 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.533 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.578 HD21 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . 0.764 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.761 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.553 ' NH1' HD21 ' A' ' 99' ' ' ASN . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.518 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.459 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.657 HD22 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.672 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.676 HD22 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.518 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.614 HD21 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.443 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . 0.761 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.422 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 10' ' ' ILE . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.723 HD22 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.723 ' NH2' HD22 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 14.5 t-20 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.532 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.474 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.3 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.476 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.722 HD22 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.722 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 45' ' ' ILE . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.518 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 14.1 t-20 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.421 HG22 HD11 ' B' ' 109' ' ' ILE . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.463 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.463 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.532 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.722 HD22 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.722 ' NH2' HD22 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 14.2 t-20 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . 0.476 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.416 HD11 HG22 ' C' ' 109' ' ' ILE . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 43' ' ' THR . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 40' ' ' THR . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.686 HE22 ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.652 ' ND2' HE22 ' C' ' 52' ' ' GLN . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' B' ' 43' ' ' THR . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.666 ' N ' HE21 ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.686 ' ND2' HE22 ' A' ' 52' ' ' GLN . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.477 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.3 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.414 HD22 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.652 HE22 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.639 ' ND2' HE22 ' B' ' 52' ' ' GLN . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 77.7 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HZ2' ' NH1' ' A' ' 23' ' ' ARG . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' NH1' ' HZ2' ' A' ' 22' ' ' LYS . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.542 HD22 HD22 ' B' ' 82' ' ' ASN . 50.2 t-20 -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 43' ' ' THR . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 40' ' ' THR . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 45' ' ' ILE . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' OH ' ' OG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CA ' HD21 ' A' ' 74' ' ' ASN . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.472 HD21 ' CA ' ' A' ' 49' ' ' LEU . 62.8 t30 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 84' ' ' GLU . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' OE2' ' NZ ' ' A' ' 80' ' ' LYS . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 100' ' ' ILE . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.405 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.405 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 77.8 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.405 ' HZ2' ' NH1' ' B' ' 23' ' ' ARG . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.514 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.499 HD22 HD22 ' C' ' 82' ' ' ASN . 50.7 t-20 -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.54 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.418 ' OH ' ' OG ' ' C' ' 76' ' ' SER . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.462 ' CA ' HD21 ' B' ' 74' ' ' ASN . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.462 HD21 ' CA ' ' B' ' 49' ' ' LEU . 62.8 t30 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.435 ' OG ' ' OH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 100' ' ' ILE . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.633 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.5 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.633 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.479 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.479 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.47 HD22 HD22 ' A' ' 82' ' ' ASN . 50.1 t-20 -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 45' ' ' ILE . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.465 ' CA ' HD21 ' C' ' 74' ' ' ASN . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.658 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 68' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.465 HD21 ' CA ' ' C' ' 49' ' ' LEU . 62.7 t30 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 76' ' ' SER . . . . . 0.418 ' OG ' ' OH ' ' B' ' 48' ' ' TYR . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.411 HG22 HD11 ' C' ' 100' ' ' ILE . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.402 HG22 HD11 ' C' ' 109' ' ' ILE . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.516 HE22 ' NE2' ' C' ' 2' ' ' GLN . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.527 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.697 ' NE2' HD22 ' B' ' 74' ' ' ASN . 33.1 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.521 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.682 HD22 ' NE2' ' C' ' 52' ' ' GLN . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.467 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.542 ' HH ' ' CE ' ' A' ' 120' ' ' LYS . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.542 ' CE ' ' HH ' ' A' ' 116' ' ' TYR . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CG ' HH21 ' A' ' 4' ' ' ARG . 0.8 OUTLIER -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.508 ' NE2' HE22 ' C' ' 2' ' ' GLN . 94.2 mm-40 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.518 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 10' ' ' ILE . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.567 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.698 ' NE2' HD22 ' C' ' 74' ' ' ASN . 33.1 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.529 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.697 HD22 ' NE2' ' A' ' 52' ' ' GLN . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 100' ' ' ILE . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.446 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.446 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.519 ' HH ' ' CE ' ' B' ' 120' ' ' LYS . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.519 ' CE ' ' HH ' ' B' ' 116' ' ' TYR . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . 0.518 ' CG ' HH21 ' B' ' 4' ' ' ARG . 0.8 OUTLIER -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' HE22 ' A' ' 2' ' ' GLN . 94.3 mm-40 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.682 ' NE2' HD22 ' A' ' 74' ' ' ASN . 33.2 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.542 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.698 HD22 ' NE2' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.458 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . 0.458 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.532 ' HH ' ' CE ' ' C' ' 120' ' ' LYS . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.532 ' CE ' ' HH ' ' C' ' 116' ' ' TYR . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' C' ' 4' ' ' ARG . 0.8 OUTLIER -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.3 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.504 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' N ' ' HG1' ' A' ' 31' ' ' THR . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' OG1' ' A' ' 43' ' ' THR . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.679 HE22 HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.682 HD22 HE22 ' C' ' 52' ' ' GLN . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.437 ' N ' ' HG1' ' A' ' 85' ' ' THR . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' OG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.2 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.511 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.511 ' N ' ' HG1' ' B' ' 31' ' ' THR . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.728 HE22 HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.52 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.679 HD22 HE22 ' A' ' 52' ' ' GLN . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.435 ' N ' ' HG1' ' B' ' 85' ' ' THR . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.425 HG22 HD11 ' B' ' 109' ' ' ILE . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.408 ' CB ' ' HZ1' ' B' ' 120' ' ' LYS . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.2 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.492 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.492 ' N ' ' HG1' ' C' ' 31' ' ' THR . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.682 HE22 HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.728 HD22 HE22 ' B' ' 52' ' ' GLN . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.418 ' N ' ' HG1' ' C' ' 85' ' ' THR . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.428 HG22 HD11 ' C' ' 109' ' ' ILE . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' C' ' 1' ' ' ALA . 27.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 31' ' ' THR . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.712 HD22 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.712 ' NH2' HD22 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.603 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.603 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' H ' ' HG ' ' A' ' 76' ' ' SER . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.437 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 27.2 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.689 HD22 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.689 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.593 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.593 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.484 ' H ' ' HG ' ' B' ' 76' ' ' SER . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.549 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.432 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.447 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.419 ' O ' ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' B' ' 1' ' ' ALA . 27.2 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.437 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.706 HD22 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.706 ' NH2' HD22 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.595 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.595 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.468 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 76' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' C' ' 76' ' ' SER . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.542 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . 0.434 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.424 HG22 HD11 ' C' ' 100' ' ' ILE . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.425 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.1 tp60 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.532 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.532 ' N ' ' HG1' ' A' ' 31' ' ' THR . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.506 HD22 HD22 ' B' ' 82' ' ' ASN . 41.7 t30 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' ' CB ' ' B' ' 82' ' ' ASN . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.487 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.56 ' CG2' ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.463 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 72.9 tp60 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.514 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.53 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HG1' ' B' ' 31' ' ' THR . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.535 HD22 HD22 ' C' ' 82' ' ' ASN . 41.4 t30 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.607 ' NH2' ' CB ' ' C' ' 82' ' ' ASN . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.541 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' B' ' 25' ' ' GLN . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.1 tp60 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.527 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.527 ' N ' ' HG1' ' C' ' 31' ' ' THR . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.523 HD22 HD22 ' A' ' 82' ' ' ASN . 41.3 t30 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.623 ' NH2' ' CB ' ' A' ' 82' ' ' ASN . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.567 ' CG2' ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.51 ' OE1' ' NE2' ' C' ' 25' ' ' GLN . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.561 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.561 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG1' ' HZ2' ' A' ' 36' ' ' LYS . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HZ2' ' CG1' ' A' ' 32' ' ' VAL . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.556 HD22 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.695 HH12 ' ND2' ' B' ' 82' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.548 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.754 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.754 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 41.2 m-20 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.562 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.562 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.483 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.513 ' CG1' ' HZ2' ' B' ' 36' ' ' LYS . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.513 ' HZ2' ' CG1' ' B' ' 32' ' ' VAL . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.54 HD22 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.711 HH12 ' ND2' ' C' ' 82' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' B' ' 73' ' ' PRO . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.737 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.737 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 41.5 m-20 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.569 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.569 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.509 ' CG1' ' HZ2' ' C' ' 36' ' ' LYS . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . 0.509 ' HZ2' ' CG1' ' C' ' 32' ' ' VAL . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.55 HD22 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.734 HH12 ' ND2' ' A' ' 82' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.54 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.741 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.741 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 41.4 m-20 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.483 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.579 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.579 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.731 HD22 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.731 HH21 HD22 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.613 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.1 t-20 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.456 HD22 ' NE2' ' A' ' 87' ' ' GLN . 55.9 t30 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.456 ' NE2' HD22 ' A' ' 83' ' ' ASN . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 100' ' ' ILE . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 102' ' ' ALA . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.413 ' H ' ' HG1' ' A' ' 101' ' ' THR . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 109' ' ' ILE . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.423 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.423 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.3 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.737 HD22 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.737 HH21 HD22 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.447 HD22 ' NE2' ' B' ' 87' ' ' GLN . 55.7 t30 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' B' ' 83' ' ' ASN . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.3 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.71 HD22 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.496 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.71 HH21 HD22 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.444 HD22 ' NE2' ' C' ' 87' ' ' GLN . 56.2 t30 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . 0.444 ' NE2' HD22 ' C' ' 83' ' ' ASN . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.467 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.408 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.723 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.578 ' NH1' HD21 ' B' ' 99' ' ' ASN . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 31' ' ' THR . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.527 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.668 HD22 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.668 ' NH2' HD22 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.68 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.34 118.28 11.22 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.512 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 27.1 m120 -132.86 -63.8 0.76 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.445 -0.784 . . . . 0.0 110.868 -178.855 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.29 4.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.125 -0.985 . . . . 0.0 110.134 -178.42 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' H ' ' HB1' ' B' ' 57' ' ' ALA . 90.1 m95 -102.58 127.17 49.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.425 -0.797 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.56 17.94 71.36 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.504 178.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.38 24.88 0.33 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.001 -1.293 . . . . 0.0 109.22 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.37 77.6 0.86 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.849 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -98.35 11.63 37.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.002 -1.061 . . . . 0.0 109.11 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.24 22.76 3.48 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.44 152.45 34.31 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.512 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.672 HD22 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.459 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.553 HD21 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 109' ' ' ILE . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.723 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.764 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.614 ' NH1' HD21 ' C' ' 99' ' ' ASN . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' B' ' 31' ' ' THR . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.533 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.674 HD22 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.674 ' NH2' HD22 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.676 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.46 118.54 11.65 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.524 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 27.0 m120 -133.03 -63.62 0.76 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.438 -0.789 . . . . 0.0 110.969 -178.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.4 ' HB1' ' H ' ' A' ' 58' ' ' TRP . . . -154.74 116.75 4.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.158 -0.964 . . . . 0.0 110.358 -178.47 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.14 126.98 49.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.76 17.76 71.57 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.26 24.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.317 . . . . 0.0 109.153 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.43 77.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -98.35 11.41 38.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.085 -1.01 . . . . 0.0 109.04 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -135.14 22.99 3.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.78 152.33 33.67 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.524 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.68 HD22 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.533 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.578 HD21 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.764 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.761 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.553 ' NH1' HD21 ' A' ' 99' ' ' ASN . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.518 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.459 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.657 HD22 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.672 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.52 118.58 11.75 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.53 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 26.8 m120 -133.01 -63.92 0.75 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.381 -0.824 . . . . 0.0 110.861 -178.818 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.51 116.96 4.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.173 -0.954 . . . . 0.0 110.362 -178.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -102.26 127.13 49.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 110.33 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.51 17.92 71.24 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 178.92 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -79.2 24.7 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.947 -1.325 . . . . 0.0 109.124 -179.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.99 77.27 0.88 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.932 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -98.02 11.58 37.1 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 109.107 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.36 22.86 3.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.61 34.51 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.53 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.676 HD22 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.518 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.614 HD21 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.443 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.761 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 10' ' ' ILE . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.723 HD22 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.723 ' NH2' HD22 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt -77.45 116.73 18.27 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 21.6 m120 -132.26 -68.27 0.63 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.274 -0.891 . . . . 0.0 109.844 -179.091 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.98 87.58 1.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 0.0 108.642 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -101.6 129.49 47.72 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.671 -0.643 . . . . 0.0 110.267 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 108.44 -5.34 33.34 Favored Glycine 0 N--CA 1.501 2.974 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.128 177.116 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.0 26.04 0.2 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.171 1.986 . . . . 0.0 109.531 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.564 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -94.07 102.83 14.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.292 -0.88 . . . . 0.0 109.942 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 14.3 m-85 -107.0 6.55 29.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.649 -1.282 . . . . 0.0 110.337 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' CG ' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -158.83 24.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.309 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -141.65 151.62 43.22 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 14.5 t-20 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.532 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.3 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.476 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.722 HD22 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.722 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 45' ' ' ILE . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.518 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.52 116.55 18.18 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 21.0 m120 -132.07 -68.34 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.223 -0.923 . . . . 0.0 109.888 -179.112 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.8 87.64 1.43 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.128 -0.982 . . . . 0.0 108.712 179.412 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.76 129.5 47.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.678 -0.639 . . . . 0.0 110.236 -179.307 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 108.64 -5.89 33.17 Favored Glycine 0 N--CA 1.502 3.062 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.167 177.173 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.57 25.89 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 120.076 1.938 . . . . 0.0 109.492 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.559 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -94.01 103.01 15.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 14.3 m-85 -107.23 6.49 28.67 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.75 -1.219 . . . . 0.0 110.322 179.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.519 HH11 ' CG ' ' B' ' 63' ' ' ARG . 0.2 OUTLIER -158.68 24.33 0.22 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.32 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -141.8 151.58 42.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.686 . . . . 0.0 109.204 -178.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 14.1 t-20 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.421 HG22 HD11 ' B' ' 109' ' ' ILE . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.463 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.463 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.474 ' NE2' ' OE1' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.532 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.722 HD22 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.722 ' NH2' HD22 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.56 116.59 18.25 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 21.1 m120 -132.0 -68.34 0.64 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.254 -0.904 . . . . 0.0 109.855 -179.068 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 87.52 1.42 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 108.635 179.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.59 129.47 47.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.728 -0.607 . . . . 0.0 110.107 -179.245 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 108.58 -5.4 33.07 Favored Glycine 0 N--CA 1.499 2.844 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.149 177.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.1 25.93 0.21 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 120.29 2.045 . . . . 0.0 109.397 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.555 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.96 103.4 15.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.294 -0.879 . . . . 0.0 109.954 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.1 m-85 -107.56 6.49 28.01 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.704 -1.247 . . . . 0.0 110.24 179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.522 ' CG ' HH11 ' C' ' 63' ' ' ARG . 0.2 OUTLIER -158.71 24.21 0.22 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.328 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -141.48 151.65 43.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.662 -0.649 . . . . 0.0 109.272 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 14.2 t-20 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . 0.476 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.416 HD11 HG22 ' C' ' 109' ' ' ILE . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 43' ' ' THR . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 40' ' ' THR . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.686 HE22 ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.35 115.75 11.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 65.7 m-80 -132.8 -59.72 0.89 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.299 -0.876 . . . . 0.0 110.619 -179.001 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.48 117.32 4.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -99.81 121.31 41.1 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.344 -0.848 . . . . 0.0 110.304 -179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.59 27.25 73.58 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 120.101 -1.047 . . . . 0.0 110.8 178.522 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.26 23.62 0.28 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.618 -1.519 . . . . 0.0 109.436 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 112.84 1.97 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.302 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -118.35 12.18 13.29 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -134.35 24.03 3.78 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -143.07 152.48 41.91 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.035 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.67 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.652 ' ND2' HE22 ' C' ' 52' ' ' GLN . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' B' ' 43' ' ' THR . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 40' ' ' THR . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.666 ' N ' HE21 ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -71.91 115.72 11.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.672 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 66.5 m-80 -132.65 -60.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.203 -0.935 . . . . 0.0 110.632 -179.056 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.33 117.27 4.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.25 -0.906 . . . . 0.0 109.845 -178.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -99.83 121.2 40.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.264 -0.898 . . . . 0.0 110.367 -179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.79 26.66 73.78 Favored Glycine 0 N--CA 1.492 2.382 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.76 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.86 23.4 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.758 -1.437 . . . . 0.0 109.515 -179.565 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.59 112.75 1.96 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.164 -0.96 . . . . 0.0 109.268 179.33 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -118.1 12.02 13.47 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.467 -0.771 . . . . 0.0 110.43 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -134.05 24.03 3.88 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.407 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -143.11 152.48 41.88 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.672 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.686 ' ND2' HE22 ' A' ' 52' ' ' GLN . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.477 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.3 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.414 HD22 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.652 HE22 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -72.14 115.93 11.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 66.9 m-80 -132.99 -59.99 0.87 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.285 -0.884 . . . . 0.0 110.636 -179.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 117.24 4.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 109.831 -178.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -99.85 121.34 41.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.223 -0.923 . . . . 0.0 110.302 -179.688 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.69 26.71 73.7 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.972 -1.108 . . . . 0.0 110.724 178.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 23.49 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.689 -1.477 . . . . 0.0 109.526 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.38 112.63 2.0 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 109.275 179.38 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -118.29 12.1 13.32 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.373 -0.83 . . . . 0.0 110.412 179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -134.23 24.08 3.82 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.14 152.43 41.8 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.038 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.663 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.639 ' ND2' HE22 ' B' ' 52' ' ' GLN . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 77.7 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HZ2' ' NH1' ' A' ' 23' ' ' ARG . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' NH1' ' HZ2' ' A' ' 22' ' ' LYS . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.542 HD22 HD22 ' B' ' 82' ' ' ASN . 50.2 t-20 -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 43' ' ' THR . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 40' ' ' THR . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 45' ' ' ILE . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' OH ' ' OG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CA ' HD21 ' A' ' 74' ' ' ASN . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -69.88 116.29 10.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.698 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.9 m-80 -132.05 -61.72 0.87 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.592 -0.692 . . . . 0.0 110.119 -179.274 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.4 115.33 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 110.186 -179.114 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.59 129.84 50.91 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.378 -0.827 . . . . 0.0 110.023 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 69.88 12.75 68.39 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.534 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.4 0.24 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.858 -1.378 . . . . 0.0 109.462 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.98 74.15 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.114 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CE2' ' O ' ' A' ' 59' ' ' GLY . 52.1 m-85 -97.12 10.78 38.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.844 -1.16 . . . . 0.0 109.22 179.476 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 63' ' ' ARG . 8.1 mmt-85 -140.31 23.77 2.33 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.595 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.6 152.4 36.7 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.698 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.472 HD21 ' CA ' ' A' ' 49' ' ' LEU . 62.8 t30 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 84' ' ' GLU . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' OE2' ' NZ ' ' A' ' 80' ' ' LYS . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 100' ' ' ILE . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.405 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.405 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 77.8 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.405 ' HZ2' ' NH1' ' B' ' 23' ' ' ARG . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.514 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.499 HD22 HD22 ' C' ' 82' ' ' ASN . 50.7 t-20 -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.54 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.418 ' OH ' ' OG ' ' C' ' 76' ' ' SER . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.462 ' CA ' HD21 ' B' ' 74' ' ' ASN . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 64.4 mt -69.85 116.31 10.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.0 m-80 -132.19 -61.7 0.86 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.612 -0.68 . . . . 0.0 109.991 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.48 115.36 3.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 110.172 -179.073 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.69 129.78 51.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.447 -0.783 . . . . 0.0 109.972 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.93 12.87 68.73 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 120.088 -1.053 . . . . 0.0 110.538 178.712 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.44 25.46 0.24 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.775 -1.427 . . . . 0.0 109.542 -179.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.89 74.16 0.85 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.907 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.446 ' CE2' ' O ' ' B' ' 59' ' ' GLY . 51.1 m-85 -97.0 10.74 38.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.838 -1.164 . . . . 0.0 109.251 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' B' ' 63' ' ' ARG . 8.2 mmt-85 -140.38 23.78 2.32 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.521 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.48 152.31 36.67 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.563 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.694 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.462 HD21 ' CA ' ' B' ' 49' ' ' LEU . 62.8 t30 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.435 ' OG ' ' OH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 100' ' ' ILE . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.633 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.5 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.633 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.479 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.479 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.47 HD22 HD22 ' A' ' 82' ' ' ASN . 50.1 t-20 -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 45' ' ' ILE . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.465 ' CA ' HD21 ' C' ' 74' ' ' ASN . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.658 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -69.83 116.21 9.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.708 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.0 m-80 -131.99 -62.07 0.86 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.597 -0.689 . . . . 0.0 110.105 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.22 115.54 3.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.196 -0.94 . . . . 0.0 110.138 -179.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -103.62 129.77 50.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 69.93 12.92 68.8 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.5 178.648 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.38 0.24 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.762 -1.434 . . . . 0.0 109.447 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -155.73 73.79 0.85 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' C' ' 59' ' ' GLY . 51.8 m-85 -96.91 10.8 38.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.83 -1.169 . . . . 0.0 109.191 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.449 ' HG2' HH11 ' C' ' 63' ' ' ARG . 8.2 mmt-85 -140.33 23.72 2.33 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.479 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -148.53 152.28 36.58 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 68' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.708 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.465 HD21 ' CA ' ' C' ' 49' ' ' LEU . 62.7 t30 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 76' ' ' SER . . . . . 0.418 ' OG ' ' OH ' ' B' ' 48' ' ' TYR . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.411 HG22 HD11 ' C' ' 100' ' ' ILE . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.402 HG22 HD11 ' C' ' 109' ' ' ILE . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.516 HE22 ' NE2' ' C' ' 2' ' ' GLN . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.527 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.697 ' NE2' HD22 ' B' ' 74' ' ' ASN . 33.1 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.42 117.29 10.0 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.679 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 26.8 m-80 -133.14 -67.36 0.63 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.81 115.97 4.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.903 . . . . 0.0 109.65 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -100.04 123.55 44.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.395 -0.816 . . . . 0.0 110.348 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.84 24.04 74.22 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.773 178.43 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.38 23.37 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.591 -1.535 . . . . 0.0 109.291 -179.566 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.84 113.71 2.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.699 179.246 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' O ' ' NH2' ' B' ' 63' ' ' ARG . 38.6 m-85 -120.91 12.0 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.393 -0.817 . . . . 0.0 109.086 178.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 62' ' ' PHE . 12.7 ttp180 -137.53 22.04 2.93 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 123.101 1.429 . . . . 0.0 107.268 179.116 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.77 152.12 34.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.812 -1.18 . . . . 0.0 108.403 178.671 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.679 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.682 HD22 ' NE2' ' C' ' 52' ' ' GLN . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.467 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.542 ' HH ' ' CE ' ' A' ' 120' ' ' LYS . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.542 ' CE ' ' HH ' ' A' ' 116' ' ' TYR . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CG ' HH21 ' A' ' 4' ' ' ARG . 0.8 OUTLIER -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.508 ' NE2' HE22 ' C' ' 2' ' ' GLN . 94.2 mm-40 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.518 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 10' ' ' ILE . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.567 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.698 ' NE2' HD22 ' C' ' 74' ' ' ASN . 33.1 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.45 117.26 9.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.664 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 27.9 m-80 -133.08 -67.47 0.62 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.308 -0.87 . . . . 0.0 110.038 -179.372 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.74 116.02 4.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.566 -179.2 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.03 124.04 44.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.795 . . . . 0.0 110.282 -179.721 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.33 24.01 73.48 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.056 -1.069 . . . . 0.0 110.943 178.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -78.22 23.24 0.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.603 -1.528 . . . . 0.0 109.381 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.8 113.66 2.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.985 -1.072 . . . . 0.0 109.63 179.316 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.499 ' O ' ' NH2' ' C' ' 63' ' ' ARG . 38.5 m-85 -120.87 11.73 11.14 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.196 -0.94 . . . . 0.0 109.068 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 12.8 ttp180 -137.25 22.4 2.99 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.529 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.99 151.91 34.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.87 -1.144 . . . . 0.0 108.493 178.561 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.664 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.697 HD22 ' NE2' ' A' ' 52' ' ' GLN . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 100' ' ' ILE . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.446 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.446 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.519 ' HH ' ' CE ' ' B' ' 120' ' ' LYS . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.519 ' CE ' ' HH ' ' B' ' 116' ' ' TYR . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.518 ' CG ' HH21 ' B' ' 4' ' ' ARG . 0.8 OUTLIER -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' HE22 ' A' ' 2' ' ' GLN . 94.3 mm-40 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.682 ' NE2' HD22 ' A' ' 74' ' ' ASN . 33.2 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.524 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.41 117.05 9.68 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 27.0 m-80 -132.87 -67.36 0.64 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.68 116.03 4.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.459 -179.175 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -99.99 123.91 44.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 -179.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.37 23.98 73.53 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.984 178.52 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.98 23.39 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.68 -1.482 . . . . 0.0 109.333 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.9 113.47 2.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 109.591 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.522 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 38.3 m-85 -120.81 11.69 11.19 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.312 -0.867 . . . . 0.0 108.995 178.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 13.2 ttp180 -137.05 22.26 3.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.968 1.366 . . . . 0.0 107.342 178.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.542 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.81 152.31 34.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.797 -1.189 . . . . 0.0 108.436 178.72 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.698 HD22 ' NE2' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.458 ' HG1' ' N ' ' C' ' 102' ' ' ALA . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . 0.458 ' N ' ' HG1' ' C' ' 101' ' ' THR . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.532 ' HH ' ' CE ' ' C' ' 120' ' ' LYS . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.532 ' CE ' ' HH ' ' C' ' 116' ' ' TYR . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' C' ' 4' ' ' ARG . 0.8 OUTLIER -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.3 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.504 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' N ' ' HG1' ' A' ' 31' ' ' THR . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' OG1' ' A' ' 43' ' ' THR . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.679 HE22 HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt -74.56 113.71 12.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 35.6 m120 -133.47 -71.05 0.52 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.423 -0.798 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 88.74 1.67 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.342 -0.848 . . . . 0.0 108.811 179.599 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' C ' ' H ' ' A' ' 60' ' ' ALA . 58.8 m95 -102.19 150.42 23.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.6 -0.687 . . . . 0.0 111.05 -178.891 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.47 9.4 1.06 Allowed Glycine 0 N--CA 1.489 2.172 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 178.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -73.07 23.53 0.06 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.336 -1.097 . . . . 0.0 109.05 -179.78 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 112.1 2.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.191 -0.943 . . . . 0.0 109.897 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.39 12.55 29.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.415 -0.803 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 31.7 mmt180 -120.92 22.62 11.01 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 178.02 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.28 151.93 35.04 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.131 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.682 HD22 HE22 ' C' ' 52' ' ' GLN . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.437 ' N ' ' HG1' ' A' ' 85' ' ' THR . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' OG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.2 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.511 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.511 ' N ' ' HG1' ' B' ' 31' ' ' THR . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.728 HE22 HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.79 113.27 11.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.4 m120 -133.15 -71.0 0.52 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.97 88.82 1.69 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.676 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.467 ' C ' ' H ' ' B' ' 60' ' ' ALA . 58.5 m95 -102.38 150.82 22.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.581 -0.7 . . . . 0.0 110.929 -179.128 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.58 8.87 0.95 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 178.724 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -72.85 23.29 0.06 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.133 -1.216 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.97 112.03 2.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 0.0 109.982 179.347 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -106.11 12.81 29.86 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.348 -0.845 . . . . 0.0 109.831 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 31.6 mmt180 -121.12 22.9 10.81 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.11 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.52 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.68 151.71 34.15 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.168 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.679 HD22 HE22 ' A' ' 52' ' ' GLN . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.435 ' N ' ' HG1' ' B' ' 85' ' ' THR . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.425 HG22 HD11 ' B' ' 109' ' ' ILE . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.408 ' CB ' ' HZ1' ' B' ' 120' ' ' LYS . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.2 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.492 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.492 ' N ' ' HG1' ' C' ' 31' ' ' THR . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.682 HE22 HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.71 113.44 11.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.2 m120 -133.19 -71.41 0.52 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.387 -0.821 . . . . 0.0 109.478 179.784 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.86 88.81 1.7 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.314 -0.867 . . . . 0.0 108.669 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' C' ' 60' ' ' ALA . 58.0 m95 -102.16 150.69 23.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.625 -0.672 . . . . 0.0 111.051 -178.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.544 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.33 9.82 1.11 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 178.902 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -73.44 23.57 0.07 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.206 -1.173 . . . . 0.0 108.924 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.544 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.3 112.09 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.024 -1.047 . . . . 0.0 109.957 179.555 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.35 12.69 29.57 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.273 -0.892 . . . . 0.0 109.691 179.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.514 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 31.6 mmt180 -121.0 22.58 10.99 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 178.095 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.46 151.62 34.28 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.429 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.728 HD22 HE22 ' B' ' 52' ' ' GLN . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.418 ' N ' ' HG1' ' C' ' 85' ' ' THR . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.428 HG22 HD11 ' C' ' 109' ' ' ILE . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' C' ' 1' ' ' ALA . 27.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 31' ' ' THR . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.712 HD22 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.712 ' NH2' HD22 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.603 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.603 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.67 117.38 15.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.71 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.2 m-80 -132.93 -58.59 0.91 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.516 -179.397 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.69 116.29 3.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.072 -1.018 . . . . 0.0 110.05 -179.014 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -101.79 124.89 48.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 110.384 -179.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.98 22.27 73.95 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.835 -1.174 . . . . 0.0 110.575 178.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.15 23.61 0.19 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.679 -1.483 . . . . 0.0 109.286 -179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.61 99.46 1.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.007 -1.058 . . . . 0.0 110.155 179.514 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -106.93 12.12 29.15 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.352 -0.843 . . . . 0.0 110.101 179.166 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.4 23.34 3.45 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.142 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.38 153.05 35.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.71 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' H ' ' HG ' ' A' ' 76' ' ' SER . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 27.2 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.443 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.689 HD22 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.689 ' NH2' HD22 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.593 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.593 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -73.29 117.49 15.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.699 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.1 m-80 -132.89 -59.04 0.9 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.552 -0.718 . . . . 0.0 110.474 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.47 115.99 3.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.988 . . . . 0.0 110.046 -179.022 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -101.4 124.85 47.74 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.428 -0.795 . . . . 0.0 110.444 -179.74 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.61 22.75 73.58 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.583 178.552 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -77.4 23.65 0.21 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.835 -1.391 . . . . 0.0 109.155 -179.55 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.71 99.65 1.57 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 110.096 179.483 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.27 12.2 28.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.168 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.25 23.34 3.49 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.45 153.2 35.49 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.699 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.484 ' H ' ' HG ' ' B' ' 76' ' ' SER . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.549 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.432 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.447 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.419 ' O ' ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' B' ' 1' ' ' ALA . 27.2 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.437 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.706 HD22 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.706 ' NH2' HD22 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.595 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.595 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.43 117.6 15.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.703 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.1 m-80 -132.91 -59.0 0.9 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.457 -0.777 . . . . 0.0 110.545 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.69 116.45 3.83 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.944 -1.097 . . . . 0.0 110.009 -179.044 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.8 124.88 48.18 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.437 -0.789 . . . . 0.0 110.528 -179.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.8 22.42 73.71 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.462 178.487 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.12 23.79 0.18 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.819 -1.401 . . . . 0.0 109.209 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.92 99.39 1.53 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.923 -1.111 . . . . 0.0 110.05 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -107.02 12.12 28.98 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.328 -0.858 . . . . 0.0 110.052 179.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -135.31 23.33 3.47 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.32 153.21 35.69 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.724 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.703 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.468 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 76' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' C' ' 76' ' ' SER . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.542 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . 0.434 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.443 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.424 HG22 HD11 ' C' ' 100' ' ' ILE . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.425 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.1 tp60 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.532 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.532 ' N ' ' HG1' ' A' ' 31' ' ' THR . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.506 HD22 HD22 ' B' ' 82' ' ' ASN . 41.7 t30 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' NH2' ' CB ' ' B' ' 82' ' ' ASN . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.487 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.95 116.17 10.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.3 -66.31 0.66 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.382 -0.824 . . . . 0.0 110.067 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.03 117.29 4.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.338 -0.851 . . . . 0.0 109.164 -179.297 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -98.46 126.06 43.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.234 -0.916 . . . . 0.0 110.759 -179.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 60.07 30.66 70.79 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.771 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.3 24.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.632 -1.51 . . . . 0.0 109.237 -179.868 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.19 106.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.718 -1.239 . . . . 0.0 110.603 179.582 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -112.29 12.32 20.25 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.329 -0.857 . . . . 0.0 109.488 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.48 23.0 4.02 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.012 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.84 152.7 34.12 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.602 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.56 ' CG2' ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.512 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.463 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 72.9 tp60 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.514 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.53 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HG1' ' B' ' 31' ' ' THR . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.535 HD22 HD22 ' C' ' 82' ' ' ASN . 41.4 t30 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.607 ' NH2' ' CB ' ' C' ' 82' ' ' ASN . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.07 116.24 11.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.586 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.9 m-80 -133.51 -65.76 0.67 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.353 -0.842 . . . . 0.0 110.079 -179.849 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.11 117.19 4.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.296 -0.878 . . . . 0.0 109.172 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -98.44 125.81 43.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.301 -0.874 . . . . 0.0 110.627 -179.107 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 60.35 30.52 71.44 Favored Glycine 0 N--CA 1.49 2.243 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.831 178.275 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.99 24.12 0.17 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.642 -1.505 . . . . 0.0 109.445 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.35 106.23 1.93 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 110.647 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.29 12.18 20.22 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.793 . . . . 0.0 109.503 178.29 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.49 22.91 4.02 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.094 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.64 152.8 34.55 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.586 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.541 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' B' ' 25' ' ' GLN . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.1 tp60 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.512 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.527 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.527 ' N ' ' HG1' ' C' ' 31' ' ' THR . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.523 HD22 HD22 ' A' ' 82' ' ' ASN . 41.3 t30 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.623 ' NH2' ' CB ' ' A' ' 82' ' ' ASN . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.24 116.13 11.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.2 m-80 -133.41 -66.29 0.65 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.466 -0.771 . . . . 0.0 110.118 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.71 117.09 4.61 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 109.251 -179.43 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -98.37 125.74 43.62 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.211 -0.931 . . . . 0.0 110.811 -179.131 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 60.45 30.32 71.32 Favored Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.167 -1.016 . . . . 0.0 110.8 178.226 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.91 24.07 0.16 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.73 -1.453 . . . . 0.0 109.45 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.4 105.89 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.75 12.04 21.0 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.365 -0.834 . . . . 0.0 109.545 178.238 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.2 23.04 4.11 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.75 152.78 34.37 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.655 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.594 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.567 ' CG2' ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.51 ' OE1' ' NE2' ' C' ' 25' ' ' GLN . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.561 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' A' ' 31' ' ' THR . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG1' ' HZ2' ' A' ' 36' ' ' LYS . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HZ2' ' CG1' ' A' ' 32' ' ' VAL . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.556 HD22 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.695 HH12 ' ND2' ' B' ' 82' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.11 117.11 17.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 18.3 m120 -132.11 -69.52 0.59 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.219 -0.926 . . . . 0.0 109.271 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.9 87.49 1.48 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.251 -0.905 . . . . 0.0 108.807 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -100.11 120.66 40.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.632 -0.668 . . . . 0.0 109.967 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 116.24 -5.38 19.72 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.89 177.34 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.78 25.15 0.27 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.951 1.876 . . . . 0.0 109.165 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.14 97.58 10.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 109.62 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 19.1 m-85 -102.65 7.73 39.8 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 31.9 mtt-85 -152.46 22.7 0.62 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.0 108.437 177.532 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.12 152.82 35.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.28 -0.887 . . . . 0.0 109.575 -179.599 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.754 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.754 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 41.2 m-20 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.562 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.562 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' B' ' 31' ' ' THR . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.483 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.513 ' CG1' ' HZ2' ' B' ' 36' ' ' LYS . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.513 ' HZ2' ' CG1' ' B' ' 32' ' ' VAL . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.54 HD22 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.711 HH12 ' ND2' ' C' ' 82' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.25 117.06 17.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 53' ' ' ALA . 17.7 m120 -131.94 -69.27 0.61 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.286 -0.884 . . . . 0.0 109.438 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.96 87.86 1.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.313 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -100.55 120.7 40.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.683 -0.636 . . . . 0.0 109.941 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 116.27 -5.29 19.71 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.834 177.406 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.34 25.52 0.31 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.99 1.895 . . . . 0.0 109.284 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.16 98.31 11.22 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.525 -0.734 . . . . 0.0 109.476 179.456 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 19.7 m-85 -103.45 7.97 37.93 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.003 -1.061 . . . . 0.0 109.685 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.492 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 32.4 mtt-85 -152.8 22.37 0.59 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.134 -0.979 . . . . 0.0 108.553 177.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.61 35.28 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 109.662 -179.576 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' B' ' 73' ' ' PRO . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.737 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.737 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 41.5 m-20 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.569 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.569 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' C' ' 31' ' ' THR . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.509 ' CG1' ' HZ2' ' C' ' 36' ' ' LYS . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . 0.509 ' HZ2' ' CG1' ' C' ' 32' ' ' VAL . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.55 HD22 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.734 HH12 ' ND2' ' A' ' 82' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.488 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt -75.89 117.1 17.27 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 53' ' ' ALA . 18.3 m120 -132.06 -69.32 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.227 -0.921 . . . . 0.0 109.367 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.76 1.49 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.175 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -100.09 120.67 40.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.707 -0.621 . . . . 0.0 109.82 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 116.16 -5.42 19.86 Favored Glycine 0 N--CA 1.504 3.183 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.071 177.439 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.21 25.42 0.3 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.997 -1.884 . . . . 0.0 109.099 179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.55 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.21 97.49 10.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.589 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 19.4 m-85 -102.58 7.87 39.92 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.838 -1.163 . . . . 0.0 109.77 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.49 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 31.6 mtt-85 -152.69 22.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.998 -1.064 . . . . 0.0 108.495 177.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.54 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.56 152.28 33.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.397 -0.814 . . . . 0.0 109.653 -179.508 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.741 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.741 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 41.4 m-20 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.483 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.579 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.579 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.731 HD22 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.731 HH21 HD22 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.5 mt -75.66 116.99 16.95 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.69 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.5 m-80 -132.29 -58.43 0.94 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.583 -0.698 . . . . 0.0 110.043 -179.318 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.417 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -157.33 117.03 3.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.279 -0.888 . . . . 0.0 110.206 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' H ' ' HB1' ' B' ' 57' ' ' ALA . 75.4 m95 -100.38 122.73 43.61 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.336 -0.852 . . . . 0.0 110.716 -179.639 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.01 25.97 72.22 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 120.141 -1.028 . . . . 0.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.49 22.75 0.16 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.464 -1.61 . . . . 0.0 109.089 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.22 115.51 2.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 109.62 179.226 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.21 11.99 14.27 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.491 -0.756 . . . . 0.0 110.269 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' C' ' 63' ' ' ARG . 67.4 mtm180 -135.39 24.69 3.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.574 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -143.34 152.36 41.53 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.179 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.69 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.1 t-20 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.456 HD22 ' NE2' ' A' ' 87' ' ' GLN . 55.9 t30 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.456 ' NE2' HD22 ' A' ' 83' ' ' ASN . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 100' ' ' ILE . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 102' ' ' ALA . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' H ' ' HG1' ' A' ' 101' ' ' THR . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 109' ' ' ILE . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.423 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.423 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.3 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.737 HD22 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.737 HH21 HD22 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 51.3 mt -75.77 116.86 16.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.4 m-80 -132.17 -58.27 0.95 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.474 -0.766 . . . . 0.0 110.08 -179.291 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.409 ' HB1' ' H ' ' A' ' 58' ' ' TRP . . . -157.4 116.82 3.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.224 -0.923 . . . . 0.0 110.232 -178.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.405 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 76.3 m95 -100.01 122.82 43.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.391 -0.818 . . . . 0.0 110.742 -179.813 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.81 26.0 72.01 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.06 178.02 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.32 22.48 0.16 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.602 -1.528 . . . . 0.0 109.134 -179.748 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.94 115.15 2.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.146 -0.971 . . . . 0.0 109.577 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.11 12.45 14.5 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.506 -0.746 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.453 ' CG ' ' NH2' ' C' ' 63' ' ' ARG . 67.2 mtm180 -135.85 24.36 3.35 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.501 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.09 152.32 41.72 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.447 HD22 ' NE2' ' B' ' 87' ' ' GLN . 55.7 t30 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' B' ' 83' ' ' ASN . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.3 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.71 HD22 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.496 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.71 HH21 HD22 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 51.9 mt -75.73 116.74 16.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.681 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 68.4 m-80 -131.96 -58.49 0.96 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.513 -0.742 . . . . 0.0 110.138 -179.307 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.405 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -157.18 117.14 3.46 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.0 110.126 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.417 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 75.2 m95 -100.21 122.76 43.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.269 -0.894 . . . . 0.0 110.718 -179.699 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.96 25.96 72.16 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.021 178.071 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.41 22.7 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.457 -1.613 . . . . 0.0 109.086 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.16 115.51 2.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.0 109.522 179.298 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.47 12.21 14.1 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 179.422 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.453 ' NH2' ' CG ' ' B' ' 63' ' ' ARG . 67.6 mtm180 -135.61 24.66 3.42 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.504 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.36 152.26 41.4 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.308 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.681 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.444 HD22 ' NE2' ' C' ' 87' ' ' GLN . 56.2 t30 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . 0.444 ' NE2' HD22 ' C' ' 83' ' ' ASN . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.467 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.408 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.826 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' C' ' 27' ' ' LEU . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.544 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.681 HD21 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.681 ' NH2' HD21 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.544 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 97' ' ' GLU . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.826 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.848 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.401 HD13 HD23 ' A' ' 6' ' ' LEU . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.552 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.694 HD21 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.694 ' NH2' HD21 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.611 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.552 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 97' ' ' GLU . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 121' ' ' LEU . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 122' ' ' ASN . . . . . 0.848 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.844 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' LEU . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.537 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.678 HD21 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.678 ' NH2' HD21 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.612 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.537 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 97' ' ' GLU . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 121' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 121' ' ' LEU . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 122' ' ' ASN . . . . . 0.844 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 38' ' ' LEU . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.748 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' HD21 ' A' ' 74' ' ' ASN . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 69' ' ' THR . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 4.7 t30 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.577 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CD ' HE22 ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 92.9 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.424 ' H ' HG22 ' B' ' 5' ' ' THR . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.743 HD21 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.743 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' ND2' ' B' ' 74' ' ' ASN . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.668 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.1 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 68' ' ' THR . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 69' ' ' THR . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 4.7 t30 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 78' ' ' THR . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' B' ' 81' ' ' TRP . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 92.6 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.42 ' H ' HG22 ' C' ' 5' ' ' THR . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.491 HE22 ' CD ' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.577 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.745 HD21 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.745 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' ND2' ' C' ' 74' ' ' ASN . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.568 HG23 ' O ' ' C' ' 68' ' ' THR . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 69' ' ' THR . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.479 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 4.6 t30 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.586 HG23 ' O ' ' C' ' 78' ' ' THR . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.443 HG23 ' O ' ' C' ' 81' ' ' TRP . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 106' ' ' GLU . . . . . 0.485 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 92.9 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 81' ' ' TRP . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 HG13 ' C' ' 20' ' ' VAL . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 94.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.555 ' N ' HG23 ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.415 HG13 HG23 ' C' ' 100' ' ' ILE . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.432 HD21 HH21 ' B' ' 41' ' ' ARG . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.406 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.603 HG23 ' O ' ' B' ' 78' ' ' THR . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.452 ' HZ3' HD11 ' B' ' 96' ' ' LEU . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.452 HD11 ' HZ3' ' B' ' 92' ' ' LYS . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 94.6 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.546 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.546 ' N ' HG23 ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.411 HG13 HG23 ' A' ' 100' ' ' ILE . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.428 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.608 HG23 ' O ' ' C' ' 78' ' ' THR . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.458 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 94' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 100' ' ' ILE . . . . . 0.415 HG23 HG13 ' B' ' 20' ' ' VAL . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 94.0 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 104' ' ' LEU . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.798 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.563 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.434 ' HH ' ' HG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 2.7 tm0? -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD12 ' NE2' ' B' ' 52' ' ' GLN . 63.8 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' HD21 ' A' ' 74' ' ' ASN . 1.7 t-20 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 81' ' ' TRP . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 18' ' ' LEU . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 79.0 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.453 HD11 HD23 ' B' ' 104' ' ' LEU . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' B' ' 22' ' ' LYS . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.754 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.2 OUTLIER -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.556 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.509 ' NE2' HD12 ' A' ' 55' ' ' LEU . 2.8 tm0? -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.507 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.504 HD12 ' NE2' ' C' ' 52' ' ' GLN . 64.4 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.612 HG23 ' O ' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HA ' HD21 ' B' ' 74' ' ' ASN . 1.7 t-20 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.434 ' HG ' ' HH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 79.0 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 120' ' ' LYS . . . . . 0.623 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' C' ' 5' ' ' THR . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.434 HD11 HD23 ' C' ' 104' ' ' LEU . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.775 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 2.8 tm0? -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.513 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.507 HD12 ' NE2' ' A' ' 52' ' ' GLN . 64.5 mt . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.617 HG23 ' O ' ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.672 HG23 ' O ' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.456 HG23 ' O ' ' C' ' 81' ' ' TRP . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.434 HD23 HD11 ' C' ' 18' ' ' LEU . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 79.0 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.538 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HD13 ' B' ' 28' ' ' LEU . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 HD23 ' C' ' 27' ' ' LEU . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.568 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.787 ' HB3' HE21 ' C' ' 52' ' ' GLN . 45.9 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 69' ' ' THR . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.404 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.538 ' CG ' HH21 ' A' ' 4' ' ' ARG . 48.3 t-20 -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HD13 ' C' ' 28' ' ' LEU . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 27' ' ' LEU . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.589 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HG ' ' C' ' 76' ' ' SER . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.778 HE21 ' HB3' ' C' ' 52' ' ' GLN . 45.5 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.427 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.57 HG23 ' O ' ' B' ' 69' ' ' THR . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' B' ' 4' ' ' ARG . 47.9 t-20 -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 28' ' ' LEU . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.447 HD13 HD23 ' B' ' 27' ' ' LEU . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.404 ' HH ' ' HG ' ' A' ' 76' ' ' SER . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.787 HE21 ' HB3' ' A' ' 52' ' ' GLN . 45.7 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.553 HG23 ' O ' ' C' ' 69' ' ' THR . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.412 ' OD1' ' CD ' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 76' ' ' SER . . . . . 0.45 ' HG ' ' HH ' ' B' ' 48' ' ' TYR . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 122' ' ' ASN . . . . . 0.539 ' CG ' HH21 ' C' ' 4' ' ' ARG . 48.5 t-20 -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' A' ' 41' ' ' ARG . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 HE22 ' ND2' ' B' ' 74' ' ' ASN . 1.5 mp0 -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 78' ' ' THR . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.528 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 103' ' ' LEU . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.445 ' C ' ' HG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.445 ' HG ' ' C ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' B' ' 5' ' ' THR . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.469 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.415 HD21 HH21 ' B' ' 41' ' ' ARG . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.462 HE22 ' ND2' ' C' ' 74' ' ' ASN . 1.5 mp0 -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 81' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.431 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' C' ' 23' ' ' ARG . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.528 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' C' ' 41' ' ' ARG . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.425 HE22 ' ND2' ' A' ' 74' ' ' ASN . 1.5 mp0 -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.422 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.562 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.469 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 106' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.558 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 95.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 104' ' ' LEU . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.739 HD21 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 3.5 tm0? -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 69' ' ' THR . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 22.4 t-20 -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 101' ' ' THR . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' GLU . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 18' ' ' LEU . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.565 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.3 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' B' ' 104' ' ' LEU . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.713 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.713 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.46 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 3.6 tm0? -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.443 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.419 HD12 ' NE2' ' C' ' 52' ' ' GLN . 54.7 mt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 69' ' ' THR . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 23.0 t-20 -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' THR . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.411 ' CD2' HD11 ' B' ' 18' ' ' LEU . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.558 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.1 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' C' ' 104' ' ' LEU . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.728 HD21 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.728 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.465 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 3.5 tm0? -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.445 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 69' ' ' THR . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 23.2 t-20 -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.718 HG23 ' O ' ' C' ' 78' ' ' THR . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.41 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 116' ' ' TYR . . . . . 0.512 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 120' ' ' LYS . . . . . 0.512 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' B' ' 28' ' ' LEU . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' C' ' 27' ' ' LEU . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.814 ' NH2' HG21 ' B' ' 78' ' ' THR . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.815 HG21 ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.466 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' C' ' 28' ' ' LEU . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' A' ' 27' ' ' LEU . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.838 ' NH2' HG21 ' C' ' 78' ' ' THR . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.427 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.814 HG21 ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 81' ' ' TRP . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.475 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.421 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' A' ' 28' ' ' LEU . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' B' ' 27' ' ' LEU . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.551 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.815 ' NH2' HG21 ' A' ' 78' ' ' THR . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.415 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 75' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.838 HG21 ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.421 HG23 ' O ' ' C' ' 81' ' ' TRP . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.485 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.58 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.58 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.578 HD21 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 37' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 64' ' ' GLN . 29.7 mp0 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 69' ' ' THR . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.461 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.661 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.661 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.6 m120 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.493 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.583 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.583 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.524 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.56 HD21 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.56 ' NH2' HD21 ' B' ' 37' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' B' ' 64' ' ' GLN . 29.7 mp0 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 68' ' ' THR . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 69' ' ' THR . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.667 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.667 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.6 m120 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 116' ' ' TYR . . . . . 0.56 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 120' ' ' LYS . . . . . 0.56 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.592 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.592 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.536 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.536 ' N ' HG23 ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.493 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.554 HG23 ' O ' ' C' ' 68' ' ' THR . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' C' ' 69' ' ' THR . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.46 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.6 m120 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 81' ' ' TRP . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.524 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 116' ' ' TYR . . . . . 0.567 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 120' ' ' LYS . . . . . 0.567 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.46 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.785 HD21 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.785 HH21 HD21 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 3.9 tm0? -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 ' NE2' ' B' ' 52' ' ' GLN . 51.5 mt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' THR . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 64.4 t30 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.401 HG11 HG11 ' C' ' 21' ' ' VAL . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.791 HD21 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.791 HH21 HD21 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.483 ' NE2' HD12 ' A' ' 55' ' ' LEU . 3.8 tm0? -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.512 HD12 ' NE2' ' C' ' 52' ' ' GLN . 51.3 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.518 HG23 ' O ' ' B' ' 69' ' ' THR . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 64.5 t30 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 78' ' ' THR . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 121' ' ' LEU . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.437 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 21' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 20' ' ' VAL . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.536 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.512 ' NE2' HD12 ' B' ' 55' ' ' LEU . 3.7 tm0? -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.472 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.474 HD12 ' NE2' ' A' ' 52' ' ' GLN . 51.9 mt . . . . . 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.568 HG23 ' O ' ' C' ' 68' ' ' THR . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.511 HG23 ' O ' ' C' ' 69' ' ' THR . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 64.6 t30 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 121' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 121' ' ' LEU . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.826 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' C' ' 27' ' ' LEU . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.544 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.681 HD21 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.681 ' NH2' HD21 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.604 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.34 118.28 11.22 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.584 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 27.1 m120 -132.86 -63.8 0.76 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.445 -0.784 . . . . 0.0 110.868 -178.855 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.744 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.45 117.29 4.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.125 -0.985 . . . . 0.0 110.134 -178.42 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.722 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.1 m95 -102.58 127.17 49.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.425 -0.797 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.56 17.94 71.36 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.504 178.779 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.38 24.88 0.33 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.001 -1.293 . . . . 0.0 109.22 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.37 77.6 0.86 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.849 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -98.35 11.63 37.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.002 -1.061 . . . . 0.0 109.11 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.24 22.76 3.48 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.44 152.45 34.31 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.513 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.544 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 97' ' ' GLU . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.826 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.848 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.401 HD13 HD23 ' A' ' 6' ' ' LEU . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.552 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.694 HD21 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.694 ' NH2' HD21 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.611 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.46 118.54 11.65 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.592 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 27.0 m120 -133.03 -63.62 0.76 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.438 -0.789 . . . . 0.0 110.969 -178.85 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.722 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.74 116.75 4.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.158 -0.964 . . . . 0.0 110.358 -178.47 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 90.2 m95 -102.14 126.98 49.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.76 17.76 71.57 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.26 24.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.317 . . . . 0.0 109.153 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.43 77.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -98.35 11.41 38.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.085 -1.01 . . . . 0.0 109.04 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -135.14 22.99 3.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.78 152.33 33.67 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.539 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.592 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.565 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.552 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 97' ' ' GLU . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 121' ' ' LEU . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.848 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.844 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' LEU . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.537 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.678 HD21 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.678 ' NH2' HD21 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.612 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.52 118.58 11.75 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.603 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 26.8 m120 -133.01 -63.92 0.75 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.381 -0.824 . . . . 0.0 110.861 -178.818 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.51 116.96 4.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.173 -0.954 . . . . 0.0 110.362 -178.441 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.744 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.0 m95 -102.26 127.13 49.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.51 17.92 71.24 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 178.92 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -79.2 24.7 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.947 -1.325 . . . . 0.0 109.124 -179.802 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.99 77.27 0.88 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.932 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -98.02 11.58 37.1 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 109.107 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.36 22.86 3.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.733 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.61 34.51 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.593 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.603 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.557 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.537 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 97' ' ' GLU . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 121' ' ' LEU . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.844 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 38' ' ' LEU . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.748 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' HD21 ' A' ' 74' ' ' ASN . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt -77.45 116.73 18.27 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 21.6 m120 -132.26 -68.27 0.63 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.274 -0.891 . . . . 0.0 109.844 -179.091 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.98 87.58 1.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 0.0 108.642 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -101.6 129.49 47.72 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.671 -0.643 . . . . 0.0 110.267 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 108.44 -5.34 33.34 Favored Glycine 0 N--CA 1.501 2.974 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.128 177.116 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.0 26.04 0.2 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.171 1.986 . . . . 0.0 109.531 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.564 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -94.07 102.83 14.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.292 -0.88 . . . . 0.0 109.942 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 14.3 m-85 -107.0 6.55 29.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.649 -1.282 . . . . 0.0 110.337 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.556 ' HG2' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -158.83 24.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.309 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -141.65 151.62 43.22 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.338 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 69' ' ' THR . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 4.7 t30 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.577 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CD ' HE22 ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 92.9 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.424 ' H ' HG22 ' B' ' 5' ' ' THR . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.743 HD21 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.743 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' ND2' ' B' ' 74' ' ' ASN . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.668 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.1 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.52 116.55 18.18 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 21.0 m120 -132.07 -68.34 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.223 -0.923 . . . . 0.0 109.888 -179.112 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.8 87.64 1.43 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.128 -0.982 . . . . 0.0 108.712 179.412 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.76 129.5 47.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.678 -0.639 . . . . 0.0 110.236 -179.307 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 108.64 -5.89 33.17 Favored Glycine 0 N--CA 1.502 3.062 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.167 177.173 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.57 25.89 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 120.076 1.938 . . . . 0.0 109.492 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.559 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -94.01 103.01 15.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 14.3 m-85 -107.23 6.49 28.67 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.75 -1.219 . . . . 0.0 110.322 179.711 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' B' ' 63' ' ' ARG . 0.2 OUTLIER -158.68 24.33 0.22 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.32 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -141.8 151.58 42.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.686 . . . . 0.0 109.204 -178.36 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 68' ' ' THR . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 69' ' ' THR . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 4.7 t30 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.585 HG23 ' O ' ' B' ' 78' ' ' THR . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' B' ' 81' ' ' TRP . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 92.6 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.42 ' H ' HG22 ' C' ' 5' ' ' THR . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.491 HE22 ' CD ' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.577 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.745 HD21 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.745 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' ND2' ' C' ' 74' ' ' ASN . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.56 116.59 18.25 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 21.1 m120 -132.0 -68.34 0.64 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.254 -0.904 . . . . 0.0 109.855 -179.068 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 87.52 1.42 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 108.635 179.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.59 129.47 47.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.728 -0.607 . . . . 0.0 110.107 -179.245 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 108.58 -5.4 33.07 Favored Glycine 0 N--CA 1.499 2.844 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.149 177.109 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.1 25.93 0.21 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 120.29 2.045 . . . . 0.0 109.397 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.555 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.96 103.4 15.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.294 -0.879 . . . . 0.0 109.954 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.1 m-85 -107.56 6.49 28.01 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.704 -1.247 . . . . 0.0 110.24 179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.56 ' HG2' HH11 ' C' ' 63' ' ' ARG . 0.2 OUTLIER -158.71 24.21 0.22 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.328 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -141.48 151.65 43.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.662 -0.649 . . . . 0.0 109.272 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.568 HG23 ' O ' ' C' ' 68' ' ' THR . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 69' ' ' THR . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.479 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 4.6 t30 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.586 HG23 ' O ' ' C' ' 78' ' ' THR . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.443 HG23 ' O ' ' C' ' 81' ' ' TRP . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 106' ' ' GLU . . . . . 0.485 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 92.9 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.35 115.75 11.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -132.8 -59.72 0.89 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.299 -0.876 . . . . 0.0 110.619 -179.001 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.48 117.32 4.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 -178.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.829 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 80.4 m95 -99.81 121.31 41.1 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.344 -0.848 . . . . 0.0 110.304 -179.735 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.59 27.25 73.58 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 120.101 -1.047 . . . . 0.0 110.8 178.522 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -78.26 23.62 0.28 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.618 -1.519 . . . . 0.0 109.436 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 112.84 1.97 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.302 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -118.35 12.18 13.29 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -134.35 24.03 3.78 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -143.07 152.48 41.91 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.035 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.498 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 81' ' ' TRP . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 HG13 ' C' ' 20' ' ' VAL . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 94.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.555 ' N ' HG23 ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.415 HG13 HG23 ' C' ' 100' ' ' ILE . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.432 HD21 HH21 ' B' ' 41' ' ' ARG . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -71.91 115.72 11.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -132.65 -60.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.203 -0.935 . . . . 0.0 110.632 -179.056 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.829 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.33 117.27 4.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.25 -0.906 . . . . 0.0 109.845 -178.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.847 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 80.2 m95 -99.83 121.2 40.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.264 -0.898 . . . . 0.0 110.367 -179.686 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.79 26.66 73.78 Favored Glycine 0 N--CA 1.492 2.382 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.76 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -77.86 23.4 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.758 -1.437 . . . . 0.0 109.515 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.59 112.75 1.96 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.164 -0.96 . . . . 0.0 109.268 179.33 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -118.1 12.02 13.47 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.467 -0.771 . . . . 0.0 110.43 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -134.05 24.03 3.88 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.407 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -143.11 152.48 41.88 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.406 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.603 HG23 ' O ' ' B' ' 78' ' ' THR . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.452 ' HZ3' HD11 ' B' ' 96' ' ' LEU . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.452 HD11 ' HZ3' ' B' ' 92' ' ' LYS . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 94.6 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.546 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.546 ' N ' HG23 ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.411 HG13 HG23 ' A' ' 100' ' ' ILE . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -72.14 115.93 11.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -132.99 -59.99 0.87 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.285 -0.884 . . . . 0.0 110.636 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.847 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.0 117.24 4.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 109.831 -178.927 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.813 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 80.3 m95 -99.85 121.34 41.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.223 -0.923 . . . . 0.0 110.302 -179.688 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.69 26.71 73.7 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.972 -1.108 . . . . 0.0 110.724 178.524 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -77.97 23.49 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.689 -1.477 . . . . 0.0 109.526 -179.706 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.38 112.63 2.0 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 109.275 179.38 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -118.29 12.1 13.32 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.373 -0.83 . . . . 0.0 110.412 179.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -134.23 24.08 3.82 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.14 152.43 41.8 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.038 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.428 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.608 HG23 ' O ' ' C' ' 78' ' ' THR . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.458 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 94' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 100' ' ' ILE . . . . . 0.415 HG23 HG13 ' B' ' 20' ' ' VAL . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 94.0 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 104' ' ' LEU . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.798 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.563 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.434 ' HH ' ' HG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 2.7 tm0? -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD12 ' NE2' ' B' ' 52' ' ' GLN . 63.8 mt -69.88 116.29 10.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 35.8 m120 -132.05 -61.72 0.87 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.592 -0.692 . . . . 0.0 110.119 -179.274 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -156.4 115.33 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 110.186 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 76.0 m95 -103.59 129.84 50.91 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.378 -0.827 . . . . 0.0 110.023 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 69.88 12.75 68.39 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.534 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.4 0.24 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.858 -1.378 . . . . 0.0 109.462 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.98 74.15 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.114 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CE2' ' O ' ' A' ' 59' ' ' GLY . 52.1 m-85 -97.12 10.78 38.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.844 -1.16 . . . . 0.0 109.22 179.476 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HG2' HH11 ' A' ' 63' ' ' ARG . 8.1 mmt-85 -140.31 23.77 2.33 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.595 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.6 152.4 36.7 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.681 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' HD21 ' A' ' 74' ' ' ASN . 1.7 t-20 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 81' ' ' TRP . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 18' ' ' LEU . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 79.0 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.453 HD11 HD23 ' B' ' 104' ' ' LEU . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' B' ' 22' ' ' LYS . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.754 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.2 OUTLIER -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.556 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.509 ' NE2' HD12 ' A' ' 55' ' ' LEU . 2.8 tm0? -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.507 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.504 HD12 ' NE2' ' C' ' 52' ' ' GLN . 64.4 mt -69.85 116.31 10.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 35.7 m120 -132.19 -61.7 0.86 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.612 -0.68 . . . . 0.0 109.991 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -156.48 115.36 3.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 110.172 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.579 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 75.5 m95 -103.69 129.78 51.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.447 -0.783 . . . . 0.0 109.972 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.446 ' O ' ' CE2' ' B' ' 62' ' ' PHE . . . 69.93 12.87 68.73 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 120.088 -1.053 . . . . 0.0 110.538 178.712 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.44 25.46 0.24 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.775 -1.427 . . . . 0.0 109.542 -179.602 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.89 74.16 0.85 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.907 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.446 ' CE2' ' O ' ' B' ' 59' ' ' GLY . 51.1 m-85 -97.0 10.74 38.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.838 -1.164 . . . . 0.0 109.251 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' B' ' 63' ' ' ARG . 8.2 mmt-85 -140.38 23.78 2.32 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.521 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.48 152.31 36.67 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.563 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.612 HG23 ' O ' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.404 ' HA ' HD21 ' B' ' 74' ' ' ASN . 1.7 t-20 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.434 ' HG ' ' HH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 79.0 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.623 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' C' ' 5' ' ' THR . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.434 HD11 HD23 ' C' ' 104' ' ' LEU . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.775 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 2.8 tm0? -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.513 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.507 HD12 ' NE2' ' A' ' 52' ' ' GLN . 64.5 mt -69.83 116.21 9.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 35.8 m120 -131.99 -62.07 0.86 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.597 -0.689 . . . . 0.0 110.105 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.579 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -156.22 115.54 3.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.196 -0.94 . . . . 0.0 110.138 -179.065 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.549 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 75.7 m95 -103.62 129.77 50.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.955 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.453 ' O ' ' CE2' ' C' ' 62' ' ' PHE . . . 69.93 12.92 68.8 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.5 178.648 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.38 0.24 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.762 -1.434 . . . . 0.0 109.447 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -155.73 73.79 0.85 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' C' ' 59' ' ' GLY . 51.8 m-85 -96.91 10.8 38.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.83 -1.169 . . . . 0.0 109.191 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' C' ' 63' ' ' ARG . 8.2 mmt-85 -140.33 23.72 2.33 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.479 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -148.53 152.28 36.58 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.617 HG23 ' O ' ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.672 HG23 ' O ' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.456 HG23 ' O ' ' C' ' 81' ' ' TRP . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.434 HD23 HD11 ' C' ' 18' ' ' LEU . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 79.0 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.538 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HD13 ' B' ' 28' ' ' LEU . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 HD23 ' C' ' 27' ' ' LEU . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.568 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.787 ' HB3' HE21 ' C' ' 52' ' ' GLN . 45.9 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.42 117.29 10.0 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 17.4 m120 -133.14 -67.36 0.63 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -152.81 115.97 4.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.903 . . . . 0.0 109.65 -179.204 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.666 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 88.2 m95 -100.04 123.55 44.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.395 -0.816 . . . . 0.0 110.348 -179.62 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.84 24.04 74.22 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.773 178.43 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.38 23.37 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.591 -1.535 . . . . 0.0 109.291 -179.566 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.84 113.71 2.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.699 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' O ' ' NH2' ' B' ' 63' ' ' ARG . 38.6 m-85 -120.91 12.0 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.393 -0.817 . . . . 0.0 109.086 178.828 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 62' ' ' PHE . 12.7 ttp180 -137.53 22.04 2.93 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 123.101 1.429 . . . . 0.0 107.268 179.116 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.77 152.12 34.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.812 -1.18 . . . . 0.0 108.403 178.671 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 69' ' ' THR . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.504 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.404 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.538 ' CG ' HH21 ' A' ' 4' ' ' ARG . 48.3 t-20 -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HD13 ' C' ' 28' ' ' LEU . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 27' ' ' LEU . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.589 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HG ' ' C' ' 76' ' ' SER . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.778 HE21 ' HB3' ' C' ' 52' ' ' GLN . 45.5 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.45 117.26 9.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 17.9 m120 -133.08 -67.47 0.62 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.308 -0.87 . . . . 0.0 110.038 -179.372 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.666 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -152.74 116.02 4.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.566 -179.2 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.678 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 88.3 m95 -100.03 124.04 44.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.795 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 67.33 24.01 73.48 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.056 -1.069 . . . . 0.0 110.943 178.457 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -78.22 23.24 0.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.603 -1.528 . . . . 0.0 109.381 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.8 113.66 2.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.985 -1.072 . . . . 0.0 109.63 179.316 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.499 ' O ' ' NH2' ' C' ' 63' ' ' ARG . 38.5 m-85 -120.87 11.73 11.14 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.196 -0.94 . . . . 0.0 109.068 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 12.8 ttp180 -137.25 22.4 2.99 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.99 151.91 34.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.87 -1.144 . . . . 0.0 108.493 178.561 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.427 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.57 HG23 ' O ' ' B' ' 69' ' ' THR . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.508 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' B' ' 4' ' ' ARG . 47.9 t-20 -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 28' ' ' LEU . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.447 HD13 HD23 ' B' ' 27' ' ' LEU . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.404 ' HH ' ' HG ' ' A' ' 76' ' ' SER . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.787 HE21 ' HB3' ' A' ' 52' ' ' GLN . 45.7 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.41 117.05 9.68 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 17.5 m120 -132.87 -67.36 0.64 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.678 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -152.68 116.03 4.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.459 -179.175 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.714 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 88.4 m95 -99.99 123.91 44.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 -179.637 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 67.37 23.98 73.53 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.984 178.52 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.98 23.39 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.68 -1.482 . . . . 0.0 109.333 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.9 113.47 2.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 109.591 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.522 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 38.3 m-85 -120.81 11.69 11.19 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.312 -0.867 . . . . 0.0 108.995 178.769 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 13.2 ttp180 -137.05 22.26 3.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.968 1.366 . . . . 0.0 107.342 178.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -149.81 152.31 34.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.797 -1.189 . . . . 0.0 108.436 178.72 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.553 HG23 ' O ' ' C' ' 69' ' ' THR . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.508 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.412 ' OD1' ' CD ' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 76' ' ' SER . . . . . 0.45 ' HG ' ' HH ' ' B' ' 48' ' ' TYR . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.539 ' CG ' HH21 ' C' ' 4' ' ' ARG . 48.5 t-20 -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' A' ' 41' ' ' ARG . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 HE22 ' ND2' ' B' ' 74' ' ' ASN . 1.5 mp0 -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt -74.56 113.71 12.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 35.6 m120 -133.47 -71.05 0.52 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.423 -0.798 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 88.74 1.67 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.342 -0.848 . . . . 0.0 108.811 179.599 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' C ' ' H ' ' A' ' 60' ' ' ALA . 58.8 m95 -102.19 150.42 23.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.6 -0.687 . . . . 0.0 111.05 -178.891 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.47 9.4 1.06 Allowed Glycine 0 N--CA 1.489 2.172 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 178.854 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.07 23.53 0.06 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.336 -1.097 . . . . 0.0 109.05 -179.78 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 112.1 2.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.191 -0.943 . . . . 0.0 109.897 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.39 12.55 29.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.415 -0.803 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.476 HH21 ' NE ' ' B' ' 63' ' ' ARG . 31.7 mmt180 -120.92 22.62 11.01 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 178.02 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -149.28 151.93 35.04 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.131 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 78' ' ' THR . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.528 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 103' ' ' LEU . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.445 ' C ' ' HG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.445 ' HG ' ' C ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' B' ' 5' ' ' THR . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.469 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.415 HD21 HH21 ' B' ' 41' ' ' ARG . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.462 HE22 ' ND2' ' C' ' 74' ' ' ASN . 1.5 mp0 -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.79 113.27 11.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.4 m120 -133.15 -71.0 0.52 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.97 88.82 1.69 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.676 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' B' ' 60' ' ' ALA . 58.5 m95 -102.38 150.82 22.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.581 -0.7 . . . . 0.0 110.929 -179.128 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.58 8.87 0.95 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 178.724 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.85 23.29 0.06 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.133 -1.216 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.97 112.03 2.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 0.0 109.982 179.347 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -106.11 12.81 29.86 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.348 -0.845 . . . . 0.0 109.831 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.476 ' NE ' HH21 ' A' ' 63' ' ' ARG . 31.6 mmt180 -121.12 22.9 10.81 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.11 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -149.68 151.71 34.15 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.168 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 81' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.431 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' C' ' 23' ' ' ARG . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.528 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' C' ' 41' ' ' ARG . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.425 HE22 ' ND2' ' A' ' 74' ' ' ASN . 1.5 mp0 -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.71 113.44 11.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.2 m120 -133.19 -71.41 0.52 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.387 -0.821 . . . . 0.0 109.478 179.784 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.86 88.81 1.7 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.314 -0.867 . . . . 0.0 108.669 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' C' ' 60' ' ' ALA . 58.0 m95 -102.16 150.69 23.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.625 -0.672 . . . . 0.0 111.051 -178.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.33 9.82 1.11 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 178.902 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -73.44 23.57 0.07 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.206 -1.173 . . . . 0.0 108.924 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.3 112.09 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.024 -1.047 . . . . 0.0 109.957 179.555 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.35 12.69 29.57 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.273 -0.892 . . . . 0.0 109.691 179.015 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.441 ' NE ' HH21 ' B' ' 63' ' ' ARG . 31.6 mmt180 -121.0 22.58 10.99 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 178.095 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -149.46 151.62 34.28 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.429 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.422 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.562 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.469 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 106' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 95.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 104' ' ' LEU . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.739 HD21 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 3.5 tm0? -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.67 117.38 15.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 34.6 m120 -132.93 -58.59 0.91 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.516 -179.397 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.721 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.69 116.29 3.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.072 -1.018 . . . . 0.0 110.05 -179.014 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.74 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 85.9 m95 -101.79 124.89 48.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 110.384 -179.819 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.98 22.27 73.95 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.835 -1.174 . . . . 0.0 110.575 178.392 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.15 23.61 0.19 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.679 -1.483 . . . . 0.0 109.286 -179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.61 99.46 1.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.007 -1.058 . . . . 0.0 110.155 179.514 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -106.93 12.12 29.15 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.352 -0.843 . . . . 0.0 110.101 179.166 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.4 23.34 3.45 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.142 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.38 153.05 35.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 69' ' ' THR . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 22.4 t-20 -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 101' ' ' THR . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' GLU . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 18' ' ' LEU . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.565 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.3 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' B' ' 104' ' ' LEU . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.713 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.713 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.46 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 3.6 tm0? -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.443 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.419 HD12 ' NE2' ' C' ' 52' ' ' GLN . 54.7 mt -73.29 117.49 15.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 34.4 m120 -132.89 -59.04 0.9 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.552 -0.718 . . . . 0.0 110.474 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.74 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.47 115.99 3.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.988 . . . . 0.0 110.046 -179.022 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 85.7 m95 -101.4 124.85 47.74 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.428 -0.795 . . . . 0.0 110.444 -179.74 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.61 22.75 73.58 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.583 178.552 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -77.4 23.65 0.21 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.835 -1.391 . . . . 0.0 109.155 -179.55 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.71 99.65 1.57 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 110.096 179.483 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.27 12.2 28.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.168 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.25 23.34 3.49 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.45 153.2 35.49 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 69' ' ' THR . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.514 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 23.0 t-20 -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' THR . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.411 ' CD2' HD11 ' B' ' 18' ' ' LEU . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.558 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.1 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' C' ' 104' ' ' LEU . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.728 HD21 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.728 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.465 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 3.5 tm0? -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.445 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.43 117.6 15.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 34.5 m120 -132.91 -59.0 0.9 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.457 -0.777 . . . . 0.0 110.545 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.69 116.45 3.83 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.944 -1.097 . . . . 0.0 110.009 -179.044 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.721 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 85.8 m95 -101.8 124.88 48.18 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.437 -0.789 . . . . 0.0 110.528 -179.818 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.8 22.42 73.71 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.462 178.487 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.12 23.79 0.18 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.819 -1.401 . . . . 0.0 109.209 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.92 99.39 1.53 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.923 -1.111 . . . . 0.0 110.05 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -107.02 12.12 28.98 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.328 -0.858 . . . . 0.0 110.052 179.229 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -135.31 23.33 3.47 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.003 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.32 153.21 35.69 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.724 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 69' ' ' THR . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.522 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 23.2 t-20 -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.718 HG23 ' O ' ' C' ' 78' ' ' THR . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.41 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.512 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.512 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' B' ' 28' ' ' LEU . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' C' ' 27' ' ' LEU . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.814 ' NH2' HG21 ' B' ' 78' ' ' THR . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.95 116.17 10.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -133.3 -66.31 0.66 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.382 -0.824 . . . . 0.0 110.067 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.758 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.03 117.29 4.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.338 -0.851 . . . . 0.0 109.164 -179.297 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.722 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 83.8 m95 -98.46 126.06 43.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.234 -0.916 . . . . 0.0 110.759 -179.117 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 60.07 30.66 70.79 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.771 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.3 24.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.632 -1.51 . . . . 0.0 109.237 -179.868 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.19 106.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.718 -1.239 . . . . 0.0 110.603 179.582 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -112.29 12.32 20.25 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.329 -0.857 . . . . 0.0 109.488 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.48 23.0 4.02 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.012 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.84 152.7 34.12 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.815 HG21 ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.466 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' C' ' 28' ' ' LEU . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' A' ' 27' ' ' LEU . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.838 ' NH2' HG21 ' C' ' 78' ' ' THR . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.427 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.07 116.24 11.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -133.51 -65.76 0.67 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.353 -0.842 . . . . 0.0 110.079 -179.849 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.722 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.11 117.19 4.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.296 -0.878 . . . . 0.0 109.172 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.74 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 83.8 m95 -98.44 125.81 43.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.301 -0.874 . . . . 0.0 110.627 -179.107 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 60.35 30.52 71.44 Favored Glycine 0 N--CA 1.49 2.243 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.831 178.275 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.99 24.12 0.17 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.642 -1.505 . . . . 0.0 109.445 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.35 106.23 1.93 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 110.647 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.29 12.18 20.22 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.793 . . . . 0.0 109.503 178.29 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.49 22.91 4.02 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.094 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.64 152.8 34.55 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.814 HG21 ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 81' ' ' TRP . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.475 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.421 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' A' ' 28' ' ' LEU . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' B' ' 27' ' ' LEU . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.551 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.815 ' NH2' HG21 ' A' ' 78' ' ' THR . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.415 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.24 116.13 11.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -133.41 -66.29 0.65 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.466 -0.771 . . . . 0.0 110.118 -179.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.74 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.71 117.09 4.61 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 109.251 -179.43 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.758 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 83.5 m95 -98.37 125.74 43.62 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.211 -0.931 . . . . 0.0 110.811 -179.131 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 60.45 30.32 71.32 Favored Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.167 -1.016 . . . . 0.0 110.8 178.226 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.91 24.07 0.16 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.73 -1.453 . . . . 0.0 109.45 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.4 105.89 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.75 12.04 21.0 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.365 -0.834 . . . . 0.0 109.545 178.238 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.2 23.04 4.11 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.75 152.78 34.37 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.655 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 75' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.838 HG21 ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.421 HG23 ' O ' ' C' ' 81' ' ' TRP . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.485 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.58 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.58 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.578 HD21 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 37' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.11 117.11 17.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 18.3 m120 -132.11 -69.52 0.59 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.219 -0.926 . . . . 0.0 109.271 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.9 87.49 1.48 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.251 -0.905 . . . . 0.0 108.807 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -100.11 120.66 40.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.632 -0.668 . . . . 0.0 109.967 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 116.24 -5.38 19.72 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.89 177.34 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.78 25.15 0.27 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.951 1.876 . . . . 0.0 109.165 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.14 97.58 10.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 109.62 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 19.1 m-85 -102.65 7.73 39.8 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' A' ' 63' ' ' ARG . 31.9 mtt-85 -152.46 22.7 0.62 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.0 108.437 177.532 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' OE1' ' N ' ' A' ' 64' ' ' GLN . 29.7 mp0 -150.12 152.82 35.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.28 -0.887 . . . . 0.0 109.575 -179.599 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 69' ' ' THR . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.461 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.661 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.661 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.6 m120 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.493 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.583 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.583 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.524 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.56 HD21 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.56 ' NH2' HD21 ' B' ' 37' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.25 117.06 17.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 53' ' ' ALA . 17.7 m120 -131.94 -69.27 0.61 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.286 -0.884 . . . . 0.0 109.438 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.96 87.86 1.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.313 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -100.55 120.7 40.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.683 -0.636 . . . . 0.0 109.941 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 116.27 -5.29 19.71 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.834 177.406 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.34 25.52 0.31 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.99 1.895 . . . . 0.0 109.284 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.16 98.31 11.22 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.525 -0.734 . . . . 0.0 109.476 179.456 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 19.7 m-85 -103.45 7.97 37.93 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.003 -1.061 . . . . 0.0 109.685 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' B' ' 63' ' ' ARG . 32.4 mtt-85 -152.8 22.37 0.59 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.134 -0.979 . . . . 0.0 108.553 177.461 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' B' ' 64' ' ' GLN . 29.7 mp0 -149.92 152.61 35.28 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 109.662 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 68' ' ' THR . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 69' ' ' THR . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.667 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.667 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.6 m120 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.56 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.56 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.592 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.592 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.536 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.536 ' N ' HG23 ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.493 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.488 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt -75.89 117.1 17.27 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 53' ' ' ALA . 18.3 m120 -132.06 -69.32 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.227 -0.921 . . . . 0.0 109.367 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.76 1.49 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.175 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -100.09 120.67 40.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.707 -0.621 . . . . 0.0 109.82 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 116.16 -5.42 19.86 Favored Glycine 0 N--CA 1.504 3.183 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.071 177.439 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.21 25.42 0.3 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.997 -1.884 . . . . 0.0 109.099 179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.55 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.21 97.49 10.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.589 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 19.4 m-85 -102.58 7.87 39.92 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.838 -1.163 . . . . 0.0 109.77 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' C' ' 63' ' ' ARG . 31.6 mtt-85 -152.69 22.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.998 -1.064 . . . . 0.0 108.495 177.587 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -150.56 152.28 33.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.397 -0.814 . . . . 0.0 109.653 -179.508 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.554 HG23 ' O ' ' C' ' 68' ' ' THR . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' C' ' 69' ' ' THR . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.46 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.6 m120 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 81' ' ' TRP . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.524 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.567 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.567 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.46 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.785 HD21 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.785 HH21 HD21 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 3.9 tm0? -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 ' NE2' ' B' ' 52' ' ' GLN . 51.5 mt -75.66 116.99 16.95 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 35.0 m120 -132.29 -58.43 0.94 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.583 -0.698 . . . . 0.0 110.043 -179.318 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -157.33 117.03 3.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.279 -0.888 . . . . 0.0 110.206 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.717 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 75.4 m95 -100.38 122.73 43.61 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.336 -0.852 . . . . 0.0 110.716 -179.639 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.01 25.97 72.22 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 120.141 -1.028 . . . . 0.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.49 22.75 0.16 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.464 -1.61 . . . . 0.0 109.089 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.22 115.51 2.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 109.62 179.226 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.21 11.99 14.27 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.491 -0.756 . . . . 0.0 110.269 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' C' ' 63' ' ' ARG . 67.4 mtm180 -135.39 24.69 3.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.574 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -143.34 152.36 41.53 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.179 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' THR . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 64.4 t30 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.401 HG11 HG11 ' C' ' 21' ' ' VAL . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.791 HD21 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.791 HH21 HD21 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.483 ' NE2' HD12 ' A' ' 55' ' ' LEU . 3.8 tm0? -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.512 HD12 ' NE2' ' C' ' 52' ' ' GLN . 51.3 mt -75.77 116.86 16.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.469 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 35.0 m120 -132.17 -58.27 0.95 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.474 -0.766 . . . . 0.0 110.08 -179.291 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.717 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -157.4 116.82 3.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.224 -0.923 . . . . 0.0 110.232 -178.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.674 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 76.3 m95 -100.01 122.82 43.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.391 -0.818 . . . . 0.0 110.742 -179.813 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.81 26.0 72.01 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.06 178.02 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.32 22.48 0.16 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.602 -1.528 . . . . 0.0 109.134 -179.748 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.94 115.15 2.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.146 -0.971 . . . . 0.0 109.577 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.11 12.45 14.5 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.506 -0.746 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.453 ' CG ' ' NH2' ' C' ' 63' ' ' ARG . 67.2 mtm180 -135.85 24.36 3.35 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.501 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.09 152.32 41.72 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.518 HG23 ' O ' ' B' ' 69' ' ' THR . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.469 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 64.5 t30 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 78' ' ' THR . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 121' ' ' LEU . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.437 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 20' ' ' VAL . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.536 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.512 ' NE2' HD12 ' B' ' 55' ' ' LEU . 3.7 tm0? -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.472 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.474 HD12 ' NE2' ' A' ' 52' ' ' GLN . 51.9 mt -75.73 116.74 16.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.469 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 35.0 m120 -131.96 -58.49 0.96 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.513 -0.742 . . . . 0.0 110.138 -179.307 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.674 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -157.18 117.14 3.46 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.0 110.126 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.682 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 75.2 m95 -100.21 122.76 43.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.269 -0.894 . . . . 0.0 110.718 -179.699 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.96 25.96 72.16 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.021 178.071 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.41 22.7 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.457 -1.613 . . . . 0.0 109.086 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.16 115.51 2.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.0 109.522 179.298 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.47 12.21 14.1 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 179.422 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.453 ' NH2' ' CG ' ' B' ' 63' ' ' ARG . 67.6 mtm180 -135.61 24.66 3.42 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.504 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.36 152.26 41.4 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.308 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.568 HG23 ' O ' ' C' ' 68' ' ' THR . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.511 HG23 ' O ' ' C' ' 69' ' ' THR . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.469 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 64.6 t30 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 121' ' ' LEU . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.826 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' B' ' 114' ' ' ASN . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 99' ' ' ASN . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' C' ' 27' ' ' LEU . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.544 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.681 HD21 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.681 ' NH2' HD21 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.709 HD21 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.544 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.586 HD22 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 97' ' ' GLU . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.42 HD21 ' HA3' ' C' ' 9' ' ' GLY . 18.5 m120 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.826 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.848 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.401 HD13 HD23 ' A' ' 6' ' ' LEU . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.407 ' HA3' HD21 ' C' ' 114' ' ' ASN . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.646 ' NH1' HD22 ' C' ' 99' ' ' ASN . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.552 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.694 HD21 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.694 ' NH2' HD21 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.715 HD21 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.628 ' O ' HG23 ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.552 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.606 HD22 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 97' ' ' GLU . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.403 HD21 ' HA3' ' A' ' 9' ' ' GLY . 18.6 m120 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 121' ' ' LEU . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . 0.848 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.844 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . 0.42 ' HA3' HD21 ' A' ' 114' ' ' ASN . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 99' ' ' ASN . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' LEU . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.537 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.678 HD21 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.678 ' NH2' HD21 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.709 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.702 HD21 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.537 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.646 HD22 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 97' ' ' GLU . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . 0.407 HD21 ' HA3' ' B' ' 9' ' ' GLY . 18.9 m120 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 121' ' ' LEU . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . 0.844 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 38' ' ' LEU . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.748 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 69' ' ' THR . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 14.5 t-20 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.577 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CD ' HE22 ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.3 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.424 ' H ' HG22 ' B' ' 5' ' ' THR . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.743 HD21 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.743 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.518 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 68' ' ' THR . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.542 ' O ' HG23 ' B' ' 69' ' ' THR . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 14.1 t-20 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.585 ' O ' HG23 ' B' ' 78' ' ' THR . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' B' ' 81' ' ' TRP . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.42 ' H ' HG22 ' C' ' 5' ' ' THR . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.491 HE22 ' CD ' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.577 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.745 HD21 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.745 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.568 ' O ' HG23 ' C' ' 68' ' ' THR . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.551 ' O ' HG23 ' C' ' 69' ' ' THR . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.479 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 14.2 t-20 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.586 HG23 ' O ' ' C' ' 78' ' ' THR . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.443 HG23 ' O ' ' C' ' 81' ' ' TRP . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . 0.485 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.43 HD21 HH21 ' A' ' 41' ' ' ARG . 51.9 t-20 -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.72 HE22 ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.678 ' ND2' HE22 ' C' ' 52' ' ' GLN . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 81' ' ' TRP . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 HG13 ' C' ' 20' ' ' VAL . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.555 ' N ' HG23 ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.415 HG13 HG23 ' C' ' 100' ' ' ILE . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.432 HD21 HH21 ' B' ' 41' ' ' ARG . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.691 ' N ' HE21 ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.406 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.72 ' ND2' HE22 ' A' ' 52' ' ' GLN . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.603 ' O ' HG23 ' B' ' 78' ' ' THR . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.452 ' HZ3' HD11 ' B' ' 96' ' ' LEU . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.452 HD11 ' HZ3' ' B' ' 92' ' ' LYS . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.3 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.546 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.546 ' N ' HG23 ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.411 HG13 HG23 ' A' ' 100' ' ' ILE . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.452 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.678 HE22 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.428 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.675 ' ND2' HE22 ' B' ' 52' ' ' GLN . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.608 HG23 ' O ' ' C' ' 78' ' ' THR . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.458 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.415 HG23 HG13 ' B' ' 20' ' ' VAL . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 77.7 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 104' ' ' LEU . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.581 HD21 HD21 ' B' ' 82' ' ' ASN . 50.2 t-20 -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.563 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.434 ' HH ' ' HG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CA ' HD22 ' A' ' 74' ' ' ASN . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.506 HD22 ' CA ' ' A' ' 49' ' ' LEU . 62.8 t30 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 81' ' ' TRP . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 18' ' ' LEU . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.453 HD11 HD23 ' B' ' 104' ' ' LEU . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' B' ' 22' ' ' LYS . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.547 HD21 HD21 ' C' ' 82' ' ' ASN . 50.7 t-20 -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.556 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.496 ' CA ' HD22 ' B' ' 74' ' ' ASN . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.612 HG23 ' O ' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.496 HD22 ' CA ' ' B' ' 49' ' ' LEU . 62.8 t30 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.434 ' HG ' ' HH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.647 ' O ' HG23 ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.5 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . 0.623 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' C' ' 5' ' ' THR . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.434 HD11 HD23 ' C' ' 104' ' ' LEU . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.503 HD21 HD21 ' A' ' 82' ' ' ASN . 50.1 t-20 -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.499 ' CA ' HD22 ' C' ' 74' ' ' ASN . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.658 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.617 ' O ' HG23 ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.499 HD22 ' CA ' ' C' ' 49' ' ' LEU . 62.7 t30 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.672 HG23 ' O ' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.456 HG23 ' O ' ' C' ' 81' ' ' TRP . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.434 HD23 HD11 ' C' ' 18' ' ' LEU . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.554 HE22 ' NE2' ' C' ' 2' ' ' GLN . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.538 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.42 HE21 ' HG3' ' C' ' 14' ' ' GLN . 93.2 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HD13 ' B' ' 28' ' ' LEU . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 HD23 ' C' ' 27' ' ' LEU . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.568 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.73 ' NE2' HD21 ' B' ' 74' ' ' ASN . 33.1 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 69' ' ' THR . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' C' ' 52' ' ' GLN . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.404 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.538 ' CG ' HH21 ' A' ' 4' ' ' ARG . 0.8 OUTLIER -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.548 ' NE2' HE22 ' C' ' 2' ' ' GLN . 94.2 mm-40 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HD13 ' C' ' 28' ' ' LEU . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 27' ' ' LEU . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.589 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HG ' ' C' ' 76' ' ' SER . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.733 ' NE2' HD21 ' C' ' 74' ' ' ASN . 33.1 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.546 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.427 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.57 ' O ' HG23 ' B' ' 69' ' ' THR . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.73 HD21 ' NE2' ' A' ' 52' ' ' GLN . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' B' ' 4' ' ' ARG . 0.8 OUTLIER -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.554 ' NE2' HE22 ' A' ' 2' ' ' GLN . 94.3 mm-40 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.42 ' HG3' HE21 ' A' ' 14' ' ' GLN . 93.2 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 28' ' ' LEU . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.447 HD13 HD23 ' B' ' 27' ' ' LEU . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.404 ' HH ' ' HG ' ' A' ' 76' ' ' SER . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 74' ' ' ASN . 33.2 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.561 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.553 ' O ' HG23 ' C' ' 69' ' ' THR . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.733 HD21 ' NE2' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . 0.45 ' HG ' ' HH ' ' B' ' 48' ' ' TYR . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . 0.539 ' CG ' HH21 ' C' ' 4' ' ' ARG . 0.8 OUTLIER -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.3 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' A' ' 41' ' ' ARG . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.732 HE22 HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.705 HD21 HE22 ' C' ' 52' ' ' GLN . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 78' ' ' THR . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.528 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 103' ' ' LEU . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.445 ' C ' ' HG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.445 ' HG ' ' C ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' B' ' 5' ' ' THR . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.2 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.469 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.562 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.415 HD21 HH21 ' B' ' 41' ' ' ARG . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.773 HE22 HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.52 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.732 HD21 HE22 ' A' ' 52' ' ' GLN . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.564 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 81' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.431 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.2 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' C' ' 23' ' ' ARG . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.528 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' C' ' 41' ' ' ARG . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.705 HE22 HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.773 HD21 HE22 ' B' ' 52' ' ' GLN . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.422 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.562 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.469 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' C' ' 1' ' ' ALA . 27.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 104' ' ' LEU . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.739 HD21 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.739 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.603 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.603 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 101' ' ' THR . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' GLU . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 18' ' ' LEU . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 27.2 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' B' ' 104' ' ' LEU . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.713 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.713 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.593 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.593 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 69' ' ' THR . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.726 ' O ' HG23 ' B' ' 78' ' ' THR . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.411 ' CD2' HD11 ' B' ' 18' ' ' LEU . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.419 ' O ' ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' B' ' 1' ' ' ALA . 27.2 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' C' ' 104' ' ' LEU . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.728 HD21 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.728 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.595 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.595 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.484 ' O ' HG23 ' C' ' 69' ' ' THR . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.468 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.718 HG23 ' O ' ' C' ' 78' ' ' THR . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.41 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . 0.512 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . 0.512 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.1 tp60 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' B' ' 28' ' ' LEU . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' C' ' 27' ' ' LEU . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.558 HD21 HD21 ' B' ' 82' ' ' ASN . 41.7 t30 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.814 ' NH2' HG21 ' B' ' 78' ' ' THR . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.487 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.815 HG21 ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 72.9 tp60 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' C' ' 28' ' ' LEU . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' A' ' 27' ' ' LEU . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.581 HD21 HD21 ' C' ' 82' ' ' ASN . 41.4 t30 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.838 ' NH2' HG21 ' C' ' 78' ' ' THR . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.427 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.814 HG21 ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 81' ' ' TRP . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' B' ' 25' ' ' GLN . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.421 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.1 tp60 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' A' ' 28' ' ' LEU . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' B' ' 27' ' ' LEU . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.551 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.584 HD21 HD21 ' A' ' 82' ' ' ASN . 41.3 t30 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.815 ' NH2' HG21 ' A' ' 78' ' ' THR . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.415 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.838 HG21 ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.421 HG23 ' O ' ' C' ' 81' ' ' TRP . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.51 ' OE1' ' NE2' ' C' ' 25' ' ' GLN . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.58 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.58 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.578 HD21 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.714 HH12 ' ND2' ' B' ' 82' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.548 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.461 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.795 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.795 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 41.2 m-20 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.493 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.583 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.583 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.524 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.56 HD21 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.73 HH12 ' ND2' ' C' ' 82' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 68' ' ' THR . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.54 ' O ' HG23 ' B' ' 69' ' ' THR . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.783 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.783 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 41.5 m-20 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . 0.56 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . 0.56 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.592 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.592 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.536 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.536 ' N ' HG23 ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.493 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.756 HH12 ' ND2' ' A' ' 82' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.54 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.554 ' O ' HG23 ' C' ' 68' ' ' THR . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' C' ' 69' ' ' THR . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.46 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.778 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.778 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 41.4 m-20 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 81' ' ' TRP . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.524 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . 0.567 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . 0.567 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.785 HD21 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.785 HH21 HD21 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.613 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 69' ' ' THR . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.1 t-20 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.481 HD21 ' NE2' ' A' ' 87' ' ' GLN . 55.9 t30 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.481 ' NE2' HD21 ' A' ' 83' ' ' ASN . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.423 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.423 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.3 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.401 HG11 HG11 ' C' ' 21' ' ' VAL . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.791 HD21 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.791 HH21 HD21 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.518 ' O ' HG23 ' B' ' 69' ' ' THR . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 78' ' ' THR . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.466 HD21 ' NE2' ' B' ' 87' ' ' GLN . 55.7 t30 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' B' ' 83' ' ' ASN . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 121' ' ' LEU . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.437 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.3 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 20' ' ' VAL . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.536 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.568 ' O ' HG23 ' C' ' 68' ' ' THR . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.511 ' O ' HG23 ' C' ' 69' ' ' THR . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.467 HD21 ' NE2' ' C' ' 87' ' ' GLN . 56.2 t30 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' C' ' 83' ' ' ASN . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 121' ' ' LEU . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.36 144.67 33.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.424 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.65 61.89 5.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.181 -0.949 . . . . 0.0 109.173 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.826 HH12 ' H ' ' A' ' 122' ' ' ASN . 46.9 mtp180 -64.06 -39.13 93.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.397 -0.815 . . . . 0.0 109.621 179.216 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -59.13 -43.22 91.98 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.158 -0.963 . . . . 0.0 108.783 -179.73 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 57.2 tp -64.37 -42.57 96.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.925 -1.109 . . . . 0.0 108.762 178.747 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.49 -39.67 92.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.438 -0.789 . . . . 0.0 109.631 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.09 87.36 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' B' ' 114' ' ' ASN . . . -67.27 -48.21 59.82 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 178.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -50.06 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -1.127 . . . . 0.0 109.267 179.52 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.11 -47.22 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.07 -1.018 . . . . 0.0 108.525 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.19 -40.39 89.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 109.589 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 109.817 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.79 90.87 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.047 -1.033 . . . . 0.0 108.978 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.19 -44.59 94.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.85 . . . . 0.0 108.832 179.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.14 87.06 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.508 -0.745 . . . . 0.0 109.232 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.78 -41.96 96.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 0.0 109.787 179.678 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.0 -43.75 94.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.106 -0.996 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -59.99 -47.21 86.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.167 -0.958 . . . . 0.0 109.968 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.13 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 0.0 109.969 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.52 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.965 -1.084 . . . . 0.0 108.578 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -61.2 -40.05 92.49 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.446 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 99' ' ' ASN . 30.3 mmt180 -60.31 -40.94 92.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.22 -40.01 88.65 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 179.402 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.45 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.08 -39.98 86.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.876 -1.14 . . . . 0.0 109.464 179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.67 -40.4 96.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.162 -0.961 . . . . 0.0 109.218 179.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' C' ' 27' ' ' LEU . 21.0 mt -60.28 -41.03 92.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 109.304 179.305 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.544 HH12 ' CD ' ' A' ' 97' ' ' GLU . 40.7 mtt-85 -60.76 -41.29 95.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.266 -0.896 . . . . 0.0 110.01 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.0 mt -60.5 -39.91 89.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.516 -179.65 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.0 p -64.47 -40.08 95.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.08 -40.79 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 109.1 -179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -60.13 -43.18 95.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.96 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.1 92.7 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.05 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.03 -1.277 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.46 -40.02 92.97 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 0.0 109.829 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.681 HD21 ' NH2' ' A' ' 41' ' ' ARG . 50.6 t-20 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.581 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -40.78 91.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.987 -1.071 . . . . 0.0 109.366 179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.27 -40.32 89.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.129 -0.982 . . . . 0.0 109.66 -179.411 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.24 -40.23 89.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.046 -1.034 . . . . 0.0 108.53 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.681 ' NH2' HD21 ' A' ' 37' ' ' ASN . 23.4 mtt-85 -64.74 -40.0 94.58 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.777 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.18 -42.91 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 121.602 -0.686 . . . . 0.0 109.227 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.0 p -60.02 -40.79 90.51 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.988 -1.07 . . . . 0.0 109.636 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.06 -1.025 . . . . 0.0 108.841 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.58 -39.12 80.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.586 -0.696 . . . . 0.0 109.838 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.013 -1.055 . . . . 0.0 108.857 -178.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.05 -46.75 88.52 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.267 179.128 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 59.5 m-85 -64.03 -39.85 95.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.99 -39.81 87.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 108.938 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.91 -39.97 87.23 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.271 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.97 -39.88 87.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 109.633 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.66 -1.275 . . . . 0.0 109.191 -179.517 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.18 83.57 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.837 -1.164 . . . . 0.0 108.1 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.79 86.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.49 -0.756 . . . . 0.0 109.181 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.34 118.28 11.22 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.584 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 27.1 m120 -132.86 -63.8 0.76 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.445 -0.784 . . . . 0.0 110.868 -178.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.744 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.45 117.29 4.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.125 -0.985 . . . . 0.0 110.134 -178.42 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.722 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.1 m95 -102.58 127.17 49.77 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.425 -0.797 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.56 17.94 71.36 Favored Glycine 0 N--CA 1.491 2.34 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.504 178.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.38 24.88 0.33 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.001 -1.293 . . . . 0.0 109.22 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.37 77.6 0.86 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.849 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -98.35 11.63 37.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.002 -1.061 . . . . 0.0 109.11 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.24 22.76 3.48 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.44 152.45 34.31 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.513 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.39 57.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 120.89 -1.131 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.53 43.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.558 -0.714 . . . . 0.0 109.728 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -129.73 133.49 47.06 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.44 115.67 28.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.91 121.49 45.18 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 99.7 t -125.91 82.55 64.32 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 -178.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.9 62.11 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 122.938 2.425 . . . . 0.0 111.187 179.106 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.0 t90 -69.0 137.15 89.63 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.204 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.3 Cg_exo -39.06 149.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 121.63 1.553 . . . . 0.0 111.355 179.293 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.709 HD21 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -129.95 -59.09 1.07 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 109.095 -179.471 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.24 126.26 35.77 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.331 -0.856 . . . . 0.0 108.883 179.731 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 p -82.61 108.81 16.27 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.21 135.64 35.22 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.592 0.71 . . . . 0.0 110.215 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 78' ' ' THR . 10.2 t -94.67 113.95 62.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.575 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.067 0 C-N-CA 121.63 1.553 . . . . 0.0 114.209 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.92 -44.13 2.32 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -177.313 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.52 -49.71 76.73 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.307 -1.496 . . . . 0.0 112.792 -175.512 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.1 t30 -72.66 -41.23 65.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.049 -1.657 . . . . 0.0 110.606 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -59.97 -50.09 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.032 -1.042 . . . . 0.0 110.259 -178.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.52 -43.47 97.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.062 -1.024 . . . . 0.0 109.831 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.5 p -69.7 -40.06 76.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.608 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -66.68 -40.06 88.4 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.619 -179.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.19 -40.21 89.21 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.754 -1.216 . . . . 0.0 108.339 179.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.0 -43.24 95.31 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.9 t90 -60.03 -49.91 75.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.411 -0.805 . . . . 0.0 109.052 179.385 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.01 -40.01 96.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.278 -0.889 . . . . 0.0 109.029 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.72 95.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 -179.51 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.15 -42.03 94.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.767 -1.208 . . . . 0.0 109.639 179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.64 -41.19 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 109.082 179.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -60.0 -43.07 95.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.309 -0.869 . . . . 0.0 110.283 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.77 -40.0 84.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.864 -1.148 . . . . 0.0 109.233 -179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.8 -40.84 92.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.496 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.544 ' CD ' HH12 ' A' ' 29' ' ' ARG . 98.8 mt-10 -65.31 -40.0 93.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.907 -1.121 . . . . 0.0 109.426 179.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -67.98 -40.09 83.19 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.586 HD22 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -68.48 -40.04 81.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.8 mt -65.58 -40.2 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.986 . . . . 0.0 109.136 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 97' ' ' GLU . 31.1 p -62.34 -41.57 98.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.06 -1.025 . . . . 0.0 109.053 179.517 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.23 78.37 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.285 -0.884 . . . . 0.0 109.256 179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.41 -43.66 96.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.252 -0.905 . . . . 0.0 109.595 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.28 -42.53 98.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.106 -0.996 . . . . 0.0 109.254 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -47.35 86.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.173 -0.954 . . . . 0.0 109.544 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -0.873 . . . . 0.0 109.452 -179.729 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.99 88.52 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.368 -0.833 . . . . 0.0 109.539 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.13 -47.59 85.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -0.929 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -46.92 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.195 -0.941 . . . . 0.0 108.936 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -66.74 -40.04 88.19 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.374 -0.829 . . . . 0.0 109.818 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.5 -45.73 92.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 0.0 110.046 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.27 -39.97 89.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.061 -1.024 . . . . 0.0 109.523 -179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.69 -40.04 93.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.42 HD21 ' HA3' ' C' ' 9' ' ' GLY . 18.5 m120 -63.68 -41.02 98.21 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.31 -40.0 77.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 109.092 179.648 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -60.07 -45.48 92.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.714 . . . . 0.0 109.485 179.575 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.34 -39.92 88.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.146 -0.971 . . . . 0.0 109.418 179.316 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' O ' ' CZ ' ' A' ' 4' ' ' ARG . 57.4 tp -60.05 -42.11 93.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' OG ' ' A' ' 123' ' ' SER . 96.6 mt-30 -64.48 -39.93 94.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.797 -1.189 . . . . 0.0 109.933 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.07 -31.66 70.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.023 -1.048 . . . . 0.0 110.012 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.74 -46.27 81.48 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 118.903 -1.119 . . . . 0.0 109.137 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.826 ' H ' HH12 ' A' ' 4' ' ' ARG . 44.9 t30 -134.11 60.89 1.69 Allowed 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.842 -1.161 . . . . 0.0 110.556 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 119' ' ' GLN . 77.0 p . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.017 -1.052 . . . . 0.0 109.04 178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.62 144.98 33.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.38 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -89.92 61.85 5.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.22 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.848 HH12 ' H ' ' B' ' 122' ' ' ASN . 46.7 mtp180 -63.96 -39.19 93.57 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.9 t -59.09 -43.5 91.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.113 -0.992 . . . . 0.0 108.65 -179.7 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 56.4 tp -64.0 -42.96 97.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.906 -1.121 . . . . 0.0 108.665 178.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.401 HD13 HD23 ' A' ' 6' ' ' LEU . 34.1 mt -65.26 -39.82 93.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.443 -0.785 . . . . 0.0 109.574 179.12 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.0 86.43 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.314 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.407 ' HA3' HD21 ' C' ' 114' ' ' ASN . . . -67.46 -48.17 58.85 Favored Glycine 0 N--CA 1.484 1.846 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 178.571 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.05 -50.02 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -1.074 . . . . 0.0 109.209 179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.03 -47.24 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.094 -1.004 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.17 -40.45 90.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.468 -0.77 . . . . 0.0 109.535 179.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.02 -42.0 93.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.348 -0.845 . . . . 0.0 109.786 -179.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.1 -40.94 91.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.86 -1.15 . . . . 0.0 109.059 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.296 -0.878 . . . . 0.0 108.98 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.02 -47.29 86.44 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.415 -0.803 . . . . 0.0 109.381 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.88 -41.63 96.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.792 179.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.09 -44.04 95.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 0.0 109.171 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -60.02 -46.96 87.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 109.948 -179.379 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.04 -40.27 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.103 -0.998 . . . . 0.0 110.031 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.06 -41.12 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.074 -1.016 . . . . 0.0 108.543 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.51 -40.03 93.14 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.646 ' NH1' HD22 ' C' ' 99' ' ' ASN . 30.4 mmt180 -60.35 -40.19 89.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 109.448 -179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.74 -40.09 91.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.349 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.01 -44.87 94.29 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.173 -0.954 . . . . 0.0 109.499 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.09 -40.07 86.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.426 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.65 -40.23 96.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -0.898 . . . . 0.0 109.338 179.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.63 -40.78 93.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.392 -0.817 . . . . 0.0 109.279 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.552 HH12 ' CD ' ' B' ' 97' ' ' GLU . 40.8 mtt-85 -61.33 -40.19 93.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 109.852 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 88.1 mt -61.36 -40.01 92.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.045 -1.035 . . . . 0.0 109.363 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -64.43 -39.88 94.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.175 -0.953 . . . . 0.0 109.651 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -60.04 -41.22 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.225 -0.922 . . . . 0.0 109.0 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.99 -42.97 95.39 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.316 -0.865 . . . . 0.0 109.957 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -47.11 92.61 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.602 -1.285 . . . . 0.0 110.014 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -60.06 -50.01 75.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.287 . . . . 0.0 109.306 -179.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -61.19 -40.05 92.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.279 -0.888 . . . . 0.0 109.898 179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.694 HD21 ' NH2' ' B' ' 41' ' ' ARG . 50.9 t-20 -59.98 -40.25 88.5 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.203 -0.936 . . . . 0.0 109.471 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.27 -40.77 91.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.91 -1.119 . . . . 0.0 109.405 179.65 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.09 -40.63 90.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.174 -0.954 . . . . 0.0 109.663 -179.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 48.8 p -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.973 -1.079 . . . . 0.0 108.464 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.694 ' NH2' HD21 ' B' ' 37' ' ' ASN . 23.4 mtt-85 -64.9 -40.14 94.62 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.94 -42.56 89.84 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 121.684 -0.635 . . . . 0.0 109.413 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -60.0 -40.93 90.89 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.948 -1.095 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.85 98.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 108.734 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.83 -39.24 81.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.528 -0.733 . . . . 0.0 109.762 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.93 -40.56 89.31 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.063 -1.023 . . . . 0.0 108.934 -178.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.23 -46.37 89.99 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.368 -0.833 . . . . 0.0 109.256 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 58.5 m-85 -64.51 -39.83 94.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.429 -0.794 . . . . 0.0 110.109 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.04 -39.65 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.869 -1.144 . . . . 0.0 108.799 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.93 -39.95 87.27 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.337 -0.852 . . . . 0.0 109.663 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.82 -39.96 86.8 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.696 -1.253 . . . . 0.0 109.333 -179.706 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.36 83.9 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.909 -1.119 . . . . 0.0 108.059 179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -39.74 86.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.378 -0.826 . . . . 0.0 109.1 179.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.46 118.54 11.65 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.592 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 27.0 m120 -133.03 -63.62 0.76 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.438 -0.789 . . . . 0.0 110.969 -178.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.722 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.74 116.75 4.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.158 -0.964 . . . . 0.0 110.358 -178.47 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 90.2 m95 -102.14 126.98 49.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 68.76 17.76 71.57 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 178.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.26 24.98 0.32 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.317 . . . . 0.0 109.153 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.43 77.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -98.35 11.41 38.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.085 -1.01 . . . . 0.0 109.04 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -135.14 22.99 3.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 177.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.78 152.33 33.67 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.37 57.94 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.892 -1.13 . . . . 0.0 108.659 179.437 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.02 157.38 42.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.593 -0.692 . . . . 0.0 109.596 179.535 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.6 133.61 47.26 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.048 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.6 115.59 28.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.822 -1.174 . . . . 0.0 110.095 -178.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.83 121.59 45.47 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.592 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 99.3 t -125.84 82.53 64.09 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.372 -0.83 . . . . 0.0 109.691 -179.065 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -86.78 61.75 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 122.86 2.373 . . . . 0.0 111.317 179.145 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 21.5 t90 -68.62 137.4 90.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.491 -0.756 . . . . 0.0 109.27 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -39.19 149.79 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.144 0 C-N-CA 121.539 1.493 . . . . 0.0 111.294 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.715 HD21 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -129.99 -59.08 1.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.196 -0.94 . . . . 0.0 109.128 -179.484 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.31 126.15 35.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.19 -0.944 . . . . 0.0 108.838 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.2 p -82.49 108.6 16.02 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.1 mt -82.33 135.46 35.19 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.667 0.746 . . . . 0.0 110.253 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.628 ' O ' HG23 ' B' ' 78' ' ' THR . 10.2 t -94.29 114.04 62.32 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.573 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -91.99 -48.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.752 1.635 . . . . 0.0 114.208 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.02 -43.54 2.33 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.154 -0.966 . . . . 0.0 113.391 -177.25 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.0 p90 -60.04 -49.9 75.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 -175.482 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.9 t30 -72.44 -41.24 66.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.153 -1.592 . . . . 0.0 110.673 -179.298 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 110.301 -178.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.047 -1.033 . . . . 0.0 109.83 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.6 p -69.81 -39.95 76.21 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -66.51 -40.01 88.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.089 -1.007 . . . . 0.0 109.599 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.35 -40.22 89.95 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.739 -1.226 . . . . 0.0 108.375 179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.02 -43.2 95.42 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.3 t90 -59.98 -50.01 75.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 109.057 179.422 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.02 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.439 -0.788 . . . . 0.0 109.076 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.69 94.87 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.352 -0.843 . . . . 0.0 109.897 -179.539 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -60.12 -42.26 94.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.853 -1.154 . . . . 0.0 109.535 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.37 -41.47 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.154 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -59.97 -42.92 95.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.235 -0.916 . . . . 0.0 110.336 -179.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -67.72 -40.05 84.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.885 -1.134 . . . . 0.0 109.252 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.78 -41.1 92.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.188 -0.945 . . . . 0.0 109.371 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.552 ' CD ' HH12 ' B' ' 29' ' ' ARG . 98.9 mt-10 -64.87 -40.66 95.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.816 -1.177 . . . . 0.0 109.456 179.494 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.44 -40.01 85.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.0 109.557 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.606 HD22 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -68.77 -39.95 79.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.26 -0.9 . . . . 0.0 109.612 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.78 -40.32 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.218 -0.926 . . . . 0.0 109.168 179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 97' ' ' GLU . 30.6 p -62.11 -41.48 98.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.011 -1.056 . . . . 0.0 109.169 179.346 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.41 77.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.251 -0.906 . . . . 0.0 109.282 179.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.25 -43.66 95.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 109.564 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.47 -42.46 98.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.153 -0.967 . . . . 0.0 109.21 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.97 -47.38 86.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 109.598 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.13 -42.29 99.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.317 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.22 87.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.41 -0.806 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.05 -47.98 83.61 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.78 -46.96 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.21 -0.931 . . . . 0.0 108.926 179.072 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -66.91 -40.01 87.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.428 -0.795 . . . . 0.0 109.822 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.23 -45.91 91.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 110.033 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.34 -39.95 89.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 109.51 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.43 -40.03 92.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.904 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.403 HD21 ' HA3' ' A' ' 9' ' ' GLY . 18.6 m120 -63.97 -40.74 97.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.157 -0.964 . . . . 0.0 109.941 -179.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.59 -40.0 76.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.992 . . . . 0.0 109.093 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.02 -45.41 92.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.516 -0.74 . . . . 0.0 109.574 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.23 -39.94 88.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.433 ' O ' ' CZ ' ' B' ' 4' ' ' ARG . 57.5 tp -60.03 -41.92 93.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.572 -0.705 . . . . 0.0 110.015 -179.033 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' B' ' 123' ' ' SER . 96.5 mt-30 -64.62 -39.99 94.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.807 -1.183 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -60.17 -31.58 70.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 110.073 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 121' ' ' LEU . 75.6 mt -56.78 -46.32 81.57 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.821 -1.174 . . . . 0.0 109.028 -179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.848 ' H ' HH12 ' B' ' 4' ' ' ARG . 45.1 t30 -133.96 60.92 1.69 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.923 -1.11 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 64.8 p . . . . . 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 109.173 178.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -79.86 145.13 32.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.181 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -89.93 61.84 5.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 109.138 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.844 HH12 ' H ' ' C' ' 122' ' ' ASN . 45.8 mtp180 -64.05 -39.21 93.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.494 -0.754 . . . . 0.0 109.585 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.521 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -58.93 -43.14 91.12 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.058 -1.026 . . . . 0.0 108.94 -179.773 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.521 ' N ' HG23 ' C' ' 5' ' ' THR . 56.7 tp -64.31 -42.82 96.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.889 -1.132 . . . . 0.0 108.662 178.606 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.14 -39.99 93.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.474 -0.767 . . . . 0.0 109.529 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.08 87.28 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.31 -0.956 . . . . 0.0 108.427 -179.348 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.42 ' HA3' HD21 ' A' ' 114' ' ' ASN . . . -67.31 -47.98 60.77 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 178.377 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -1.114 . . . . 0.0 109.353 179.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.22 -47.47 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.11 -0.994 . . . . 0.0 108.405 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.06 -40.35 89.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.363 -0.836 . . . . 0.0 109.551 179.556 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.99 -42.25 93.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.276 -0.89 . . . . 0.0 109.75 -179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.6 89.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.035 -1.041 . . . . 0.0 108.939 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.4 -44.61 95.52 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.392 -0.818 . . . . 0.0 108.808 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.02 -47.06 87.41 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.412 -0.805 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.07 -41.77 97.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.857 . . . . 0.0 109.732 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.02 -43.87 95.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.056 -1.027 . . . . 0.0 109.244 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.01 -47.32 86.31 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.0 109.911 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -59.98 -40.19 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.951 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.05 -41.16 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.88 -1.138 . . . . 0.0 108.493 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.41 -40.16 93.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.61 -0.681 . . . . 0.0 109.263 179.42 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 99' ' ' ASN . 30.5 mmt180 -60.26 -40.63 91.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.35 -40.04 89.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 109.337 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -60.01 -45.0 94.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.063 -1.023 . . . . 0.0 109.515 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.12 -40.03 86.77 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.922 -1.111 . . . . 0.0 109.402 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' LEU . 30.6 tp -63.32 -40.95 98.73 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 179.281 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.01 -40.62 89.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.331 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.537 HH12 ' CD ' ' C' ' 97' ' ' GLU . 40.8 mtt-85 -61.65 -40.22 94.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.94 . . . . 0.0 109.891 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.3 mt -61.08 -40.1 92.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.956 -1.09 . . . . 0.0 109.316 -179.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.8 p -64.25 -40.07 95.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.314 -0.866 . . . . 0.0 109.588 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.07 -41.04 85.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.181 -0.949 . . . . 0.0 109.018 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.02 -43.0 95.55 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.476 -0.765 . . . . 0.0 109.989 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.12 -47.12 92.62 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.592 -1.29 . . . . 0.0 109.935 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.5 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.933 -1.334 . . . . 0.0 109.252 -179.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.8 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.678 HD21 ' NH2' ' C' ' 41' ' ' ARG . 50.9 t-20 -59.99 -40.4 89.04 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.196 -0.94 . . . . 0.0 109.406 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.13 -40.53 90.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.889 -1.132 . . . . 0.0 109.45 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.34 -40.33 90.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.0 109.711 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.206 -0.998 . . . . 0.0 108.68 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.678 ' NH2' HD21 ' C' ' 37' ' ' ASN . 23.7 mtt-85 -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.99 -42.87 91.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.364 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 79.3 p -59.95 -40.95 90.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.064 . . . . 0.0 109.747 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.05 97.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.163 -0.961 . . . . 0.0 108.699 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -60.58 -39.18 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.686 . . . . 0.0 109.803 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 -40.71 90.1 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.117 -0.99 . . . . 0.0 108.871 -178.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.03 -46.79 88.35 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.432 -0.792 . . . . 0.0 109.201 179.135 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.2 m-85 -64.06 -39.93 95.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.37 -0.831 . . . . 0.0 110.136 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.94 -39.68 86.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.783 -1.198 . . . . 0.0 108.929 179.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.85 -40.0 87.06 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 179.169 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.0 -39.78 86.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -0.857 . . . . 0.0 109.584 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.709 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.96 -39.97 87.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.551 -1.343 . . . . 0.0 109.418 -179.533 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.35 83.85 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.894 -1.129 . . . . 0.0 108.059 178.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.05 -39.65 86.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.408 -0.808 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 63.0 mt -68.52 118.58 11.75 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.603 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 26.8 m120 -133.01 -63.92 0.75 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.381 -0.824 . . . . 0.0 110.861 -178.818 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.51 116.96 4.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.173 -0.954 . . . . 0.0 110.362 -178.441 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.744 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.0 m95 -102.26 127.13 49.35 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.51 17.92 71.24 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 178.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -79.2 24.7 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.947 -1.325 . . . . 0.0 109.124 -179.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.99 77.27 0.88 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.932 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -98.02 11.58 37.1 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.982 -1.073 . . . . 0.0 109.107 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -135.36 22.86 3.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.47 152.61 34.51 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.593 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.74 57.97 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.811 -1.18 . . . . 0.0 108.623 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.59 43.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.62 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -129.88 133.61 46.99 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.58 115.87 28.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.663 -1.273 . . . . 0.0 110.046 -179.021 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.07 121.55 45.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.474 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.603 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 95.3 t -125.85 82.41 64.32 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.365 -0.834 . . . . 0.0 109.741 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -86.77 61.76 4.36 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.825 2.35 . . . . 0.0 111.317 179.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.59 137.35 90.71 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.467 -0.771 . . . . 0.0 109.379 -179.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -39.16 149.74 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 121.676 1.584 . . . . 0.0 111.152 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.702 HD21 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.06 -59.0 1.06 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.276 -0.89 . . . . 0.0 109.035 -179.483 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.36 126.18 35.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.262 -0.898 . . . . 0.0 108.809 179.762 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.8 p -82.49 108.85 16.21 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -82.47 135.33 35.15 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.629 0.728 . . . . 0.0 110.319 -177.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -94.23 114.08 62.39 Favored Pre-proline 0 N--CA 1.492 1.671 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -91.96 -48.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 121.482 1.455 . . . . 0.0 114.142 -179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -121.74 -43.6 2.36 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -177.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -60.05 -49.77 76.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.335 -1.478 . . . . 0.0 112.681 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.646 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.54 -41.18 66.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.104 -1.623 . . . . 0.0 110.522 -179.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -60.05 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.107 -0.996 . . . . 0.0 110.337 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.55 -43.45 97.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.082 -1.011 . . . . 0.0 109.84 -179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.0 p -69.79 -39.99 76.27 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.275 -0.891 . . . . 0.0 109.653 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -66.58 -40.05 88.73 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.07 -1.019 . . . . 0.0 109.577 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -40.09 89.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.769 -1.207 . . . . 0.0 108.45 179.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -43.18 95.83 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.4 t90 -60.03 -49.94 75.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.407 -0.808 . . . . 0.0 109.208 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.8 -40.04 96.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.418 -0.801 . . . . 0.0 109.038 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -43.42 95.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.373 -0.829 . . . . 0.0 109.986 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.57 -41.92 95.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.905 -1.122 . . . . 0.0 109.458 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.53 -41.63 90.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.142 -0.974 . . . . 0.0 109.073 179.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.97 -42.63 94.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.214 -0.929 . . . . 0.0 110.313 -179.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -68.11 -40.01 82.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.745 -1.222 . . . . 0.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.74 92.79 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.283 -0.886 . . . . 0.0 109.512 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.537 ' CD ' HH12 ' C' ' 29' ' ' ARG . 98.9 mt-10 -65.28 -40.12 93.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.883 -1.136 . . . . 0.0 109.365 179.359 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.03 -39.94 82.98 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.219 -0.925 . . . . 0.0 109.523 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.646 HD22 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -68.63 -40.05 80.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.145 -0.972 . . . . 0.0 109.436 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.56 -40.49 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.143 -0.973 . . . . 0.0 109.219 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 97' ' ' GLU . 32.2 p -62.02 -41.67 98.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 109.193 179.339 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.37 -49.65 76.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.208 -0.933 . . . . 0.0 109.195 179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.01 -44.0 94.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.0 109.565 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.07 -42.53 98.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -47.52 85.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 109.512 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.93 -42.31 98.95 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.208 -0.933 . . . . 0.0 109.337 -179.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.12 87.73 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.482 -0.761 . . . . 0.0 109.413 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.07 -47.81 84.34 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.257 -0.902 . . . . 0.0 109.214 -179.675 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -46.93 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.189 -0.944 . . . . 0.0 109.007 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -66.81 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.52 -45.87 92.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.898 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.38 -40.03 89.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 0.0 109.454 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -61.47 -40.03 93.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.374 -0.829 . . . . 0.0 109.973 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . 0.407 HD21 ' HA3' ' B' ' 9' ' ' GLY . 18.9 m120 -63.66 -40.87 97.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.093 -1.004 . . . . 0.0 109.957 -179.252 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -69.44 -39.93 77.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.218 -0.926 . . . . 0.0 109.157 179.529 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.01 -45.5 92.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.533 -0.729 . . . . 0.0 109.585 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.29 -39.91 88.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . 0.418 ' O ' ' CZ ' ' C' ' 4' ' ' ARG . 57.2 tp -60.01 -42.16 93.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.435 -0.791 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.442 ' O ' ' OG ' ' C' ' 123' ' ' SER . 96.6 mt-30 -64.53 -39.94 94.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.883 -1.136 . . . . 0.0 109.969 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.09 -31.03 69.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.101 . . . . 0.0 110.312 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 121' ' ' LEU . 74.5 mt -57.33 -46.35 83.34 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.853 -1.154 . . . . 0.0 108.994 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.844 ' H ' HH12 ' C' ' 4' ' ' ARG . 45.1 t30 -133.94 61.02 1.68 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.935 -1.103 . . . . 0.0 110.673 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 69.3 p . . . . . 0 N--CA 1.497 1.909 0 O-C-N 120.913 -1.117 . . . . 0.0 109.034 178.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.62 144.45 49.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.641 179.696 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.88 60.93 5.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.23 -0.918 . . . . 0.0 109.118 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.31 -40.04 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.26 179.34 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -45.32 93.18 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 0.0 109.012 179.875 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -45.1 93.96 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.021 -1.05 . . . . 0.0 108.583 179.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.25 -40.06 88.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.802 . . . . 0.0 109.459 179.23 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.52 89.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.157 -0.964 . . . . 0.0 108.706 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.57 -47.08 64.24 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.726 -1.75 . . . . 0.0 108.726 178.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.02 -48.62 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -1.096 . . . . 0.0 109.577 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -44.07 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.21 -0.931 . . . . 0.0 108.998 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -62.97 -39.91 96.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -0.855 . . . . 0.0 109.791 179.078 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.06 -41.86 93.3 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.244 -179.32 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.27 -40.88 95.73 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.059 -1.026 . . . . 0.0 109.399 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -59.96 -46.01 90.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -0.888 . . . . 0.0 109.384 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' OE1' ' B' ' 106' ' ' GLU . 97.7 mt-30 -60.39 -43.28 96.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.284 -0.885 . . . . 0.0 109.545 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.71 97.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -44.11 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.185 179.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.96 -46.97 87.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.366 -0.833 . . . . 0.0 110.097 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.0 -40.1 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 109.438 -179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -40.87 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.182 -0.949 . . . . 0.0 108.639 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -60.96 -40.7 94.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.72 -40.61 92.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 0.0 109.416 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.52 -40.03 89.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.162 -0.961 . . . . 0.0 109.25 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.98 -48.01 83.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.705 -179.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.96 -39.94 90.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.031 -1.043 . . . . 0.0 109.514 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.33 -40.35 97.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.0 109.398 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.94 -40.63 89.6 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.358 -0.839 . . . . 0.0 109.363 179.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.98 -40.07 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.934 . . . . 0.0 110.0 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.5 mt -61.94 -40.78 96.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.991 -1.068 . . . . 0.0 109.779 -179.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -62.47 -40.05 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -40.09 82.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -60.0 -47.32 86.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 0.0 110.898 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.58 -51.46 58.58 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.5 -1.333 . . . . 0.0 110.683 -178.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.89 75.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.351 . . . . 0.0 110.641 -179.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.15 -39.99 94.45 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.134 -0.979 . . . . 0.0 109.444 -179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.748 HD21 ' NH2' ' A' ' 41' ' ' ARG . 53.7 t-20 -60.01 -40.56 89.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 109.529 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 38' ' ' LEU . 84.3 mt -60.13 -39.96 88.13 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.051 -1.031 . . . . 0.0 109.504 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.04 -40.21 88.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.087 -1.008 . . . . 0.0 109.181 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.3 -40.65 91.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.996 -1.065 . . . . 0.0 108.916 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.748 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -63.81 -39.98 95.53 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.038 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -42.37 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.511 -0.743 . . . . 0.0 109.008 -179.69 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.9 p -59.97 -40.14 88.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.902 -1.124 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.64 95.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.01 -1.056 . . . . 0.0 108.704 179.482 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.96 -38.1 75.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.674 -0.641 . . . . 0.0 109.64 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.35 89.01 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.018 -1.051 . . . . 0.0 109.502 -178.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.33 -42.43 99.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.754 -1.216 . . . . 0.0 109.125 179.05 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 58.3 m-85 -67.17 -38.33 85.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 109.744 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.877 -1.14 . . . . 0.0 108.768 179.468 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.197 -0.939 . . . . 0.0 108.615 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.71 -39.9 86.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.153 -0.967 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.947 -1.096 . . . . 0.0 109.246 179.869 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.6 -33.97 72.15 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.015 -1.053 . . . . 0.0 108.949 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -58.54 -39.91 81.5 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.3 mt -77.45 116.73 18.27 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.578 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 21.6 m120 -132.26 -68.27 0.63 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.274 -0.891 . . . . 0.0 109.844 -179.091 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.98 87.58 1.42 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 0.0 108.642 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -101.6 129.49 47.72 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.671 -0.643 . . . . 0.0 110.267 -179.325 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 108.44 -5.34 33.34 Favored Glycine 0 N--CA 1.501 2.974 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.128 177.116 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.0 26.04 0.2 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.171 1.986 . . . . 0.0 109.531 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.564 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -94.07 102.83 14.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.292 -0.88 . . . . 0.0 109.942 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 14.3 m-85 -107.0 6.55 29.17 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.649 -1.282 . . . . 0.0 110.337 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.556 HH11 ' HG2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -158.83 24.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.309 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -141.65 151.62 43.22 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -178.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 t -110.73 59.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.184 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.05 159.39 44.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.606 -0.684 . . . . 0.0 109.755 -179.405 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.61 134.31 55.0 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -95.78 119.35 34.13 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.173 -0.955 . . . . 0.0 110.315 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 69' ' ' THR . 10.9 t -111.43 121.65 45.78 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.669 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 45.2 t -123.1 92.91 48.75 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.336 -0.852 . . . . 0.0 109.64 -179.145 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -82.14 66.17 8.32 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.304 2.003 . . . . 0.0 112.068 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.6 t90 -66.73 139.82 96.03 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.673 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -48.33 148.03 8.04 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 CA-C-N 120.257 1.128 . . . . 0.0 110.16 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 14.5 t-20 -121.91 -57.03 1.82 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.28 126.16 35.75 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -79.9 109.51 14.39 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.666 0.746 . . . . 0.0 110.134 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 8.0 t -90.0 114.46 60.91 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.24 -47.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.612 1.541 . . . . 0.0 113.962 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -122.05 -43.86 2.32 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -177.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.4 p90 -60.04 -50.17 74.76 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.323 -1.486 . . . . 0.0 112.527 -175.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.8 t30 -74.83 -42.74 57.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.128 -1.607 . . . . 0.0 110.406 -179.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.99 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.293 -0.879 . . . . 0.0 110.403 -178.396 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.73 -42.39 98.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.924 -1.11 . . . . 0.0 109.21 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.0 p -69.92 -39.98 75.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.942 . . . . 0.0 109.716 179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -65.18 -40.04 93.71 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.012 -179.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.93 -46.25 89.99 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.087 -1.008 . . . . 0.0 108.612 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.95 -41.5 92.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.109 -0.994 . . . . 0.0 108.912 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.577 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.7 t90 -59.92 -50.09 75.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.388 -0.82 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -67.44 -39.97 85.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.516 -179.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.32 -40.09 95.2 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.027 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -60.03 -43.24 95.43 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.851 -1.156 . . . . 0.0 108.78 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.17 -40.4 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 109.539 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -61.21 -40.21 93.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.774 -179.092 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -70.05 -39.87 75.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.752 -1.218 . . . . 0.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.7 -40.04 84.36 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.087 -1.008 . . . . 0.0 108.803 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.01 -48.28 82.36 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.289 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.92 -40.92 95.03 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.426 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.46 -39.91 95.72 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.227 -0.92 . . . . 0.0 109.295 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.4 mt -66.73 -43.11 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.18 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.7 p -61.29 -40.82 95.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.44 86.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.329 -0.857 . . . . 0.0 110.035 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.34 -40.27 93.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.118 -0.989 . . . . 0.0 109.431 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.74 -44.75 96.31 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.109 -0.994 . . . . 0.0 108.88 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.36 -49.96 75.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CD ' HE22 ' C' ' 16' ' ' GLN . 7.3 tm-20 -62.55 -40.77 97.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.21 87.07 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.389 -0.819 . . . . 0.0 109.597 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.01 -47.98 83.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.04 -49.79 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 108.959 179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -62.77 -42.59 99.76 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.245 -0.909 . . . . 0.0 109.557 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 109.569 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -43.14 95.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.88 . . . . 0.0 108.959 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.76 -47.32 86.82 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.285 -0.885 . . . . 0.0 109.548 179.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.46 -46.97 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.897 -1.127 . . . . 0.0 109.88 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.27 -40.4 93.85 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.969 -1.082 . . . . 0.0 108.962 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.05 -47.56 85.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.434 -0.791 . . . . 0.0 109.476 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.844 179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.72 -41.78 98.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -0.913 . . . . 0.0 109.694 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.3 mt-30 -59.96 -40.54 89.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.182 -0.949 . . . . 0.0 109.863 -179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.38 -40.04 89.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.194 179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.81 -49.09 79.08 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -115.92 56.54 0.77 Allowed 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.379 179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -71.58 144.54 49.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 109.592 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 60.89 5.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 109.067 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -64.46 -39.95 94.79 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.434 -0.791 . . . . 0.0 109.249 179.369 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.424 ' H ' HG22 ' B' ' 5' ' ' THR . 0.4 OUTLIER -60.11 -45.37 93.21 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.037 179.897 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.02 -45.03 94.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.491 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.36 -40.04 89.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.538 -0.726 . . . . 0.0 109.504 179.279 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.65 89.87 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.196 -0.94 . . . . 0.0 108.624 -179.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.1 64.34 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -1.082 . . . . 0.0 109.587 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -44.31 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 108.998 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -62.59 -39.96 95.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 109.706 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.99 -41.81 92.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.263 -0.898 . . . . 0.0 109.282 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -61.35 -40.88 95.89 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.114 -0.991 . . . . 0.0 109.392 179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -59.99 -46.22 90.16 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.222 -0.924 . . . . 0.0 109.297 179.859 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' C' ' 106' ' ' GLU . 97.8 mt-30 -60.21 -43.15 96.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.337 -0.852 . . . . 0.0 109.64 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.13 -41.55 96.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 109.442 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.03 -44.43 94.64 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.159 -0.963 . . . . 0.0 109.142 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -60.0 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.472 -0.767 . . . . 0.0 110.016 -179.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.03 -40.05 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.888 -1.133 . . . . 0.0 109.477 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.07 -41.13 85.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.212 -0.93 . . . . 0.0 108.748 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.73 -40.68 93.26 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.67 -40.53 92.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.936 . . . . 0.0 109.364 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.63 -39.98 90.26 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.209 -0.932 . . . . 0.0 109.316 179.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -59.98 -47.95 83.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 109.677 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.546 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.1 -40.42 97.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.359 -0.838 . . . . 0.0 109.495 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.03 -40.37 89.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.457 -0.777 . . . . 0.0 109.354 179.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.33 -40.04 92.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.2 -0.938 . . . . 0.0 109.966 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.7 -40.8 96.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.031 -1.043 . . . . 0.0 109.828 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -62.5 -39.96 95.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.476 -179.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.33 -40.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.409 -0.807 . . . . 0.0 109.311 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.98 -47.56 85.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.343 -0.848 . . . . 0.0 110.92 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -51.71 57.15 Favored Glycine 0 N--CA 1.491 2.346 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.696 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.983 -1.304 . . . . 0.0 110.582 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -62.22 -39.91 94.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.047 -1.033 . . . . 0.0 109.394 -179.599 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.743 HD21 ' NH2' ' B' ' 41' ' ' ARG . 52.4 t-20 -60.04 -40.6 89.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.867 . . . . 0.0 109.536 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.99 -40.03 87.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.95 -40.27 88.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.19 -178.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.4 p -60.47 -40.5 91.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.949 -1.094 . . . . 0.0 108.862 179.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.743 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.1 mtt-85 -63.82 -39.98 95.52 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.01 -42.29 89.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.467 -0.77 . . . . 0.0 108.982 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.9 p -60.03 -40.23 88.64 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 109.633 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.79 94.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.923 -1.111 . . . . 0.0 108.706 179.438 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.04 -38.01 75.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.601 -0.687 . . . . 0.0 109.605 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -40.69 89.92 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.095 -1.003 . . . . 0.0 109.536 -178.708 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.07 -42.39 99.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.779 -1.2 . . . . 0.0 109.16 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 58.6 m-85 -67.09 -38.37 85.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.062 -1.024 . . . . 0.0 109.9 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.08 -39.5 86.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 108.789 179.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -60.03 -40.05 87.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 179.165 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.96 -39.82 86.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.152 -0.968 . . . . 0.0 109.149 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.518 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.835 -1.166 . . . . 0.0 109.174 179.849 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.45 -34.05 72.05 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.987 -1.071 . . . . 0.0 108.954 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.5 -40.02 81.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.52 116.55 18.18 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 21.0 m120 -132.07 -68.34 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.223 -0.923 . . . . 0.0 109.888 -179.112 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.8 87.64 1.43 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.128 -0.982 . . . . 0.0 108.712 179.412 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.76 129.5 47.96 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.678 -0.639 . . . . 0.0 110.236 -179.307 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 108.64 -5.89 33.17 Favored Glycine 0 N--CA 1.502 3.062 0 C-N-CA 120.47 -0.872 . . . . 0.0 113.167 177.173 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.57 25.89 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 120.076 1.938 . . . . 0.0 109.492 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.559 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -94.01 103.01 15.1 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.365 -0.834 . . . . 0.0 109.939 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 14.3 m-85 -107.23 6.49 28.67 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.75 -1.219 . . . . 0.0 110.322 179.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' B' ' 63' ' ' ARG . 0.2 OUTLIER -158.68 24.33 0.22 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.32 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -141.8 151.58 42.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.686 . . . . 0.0 109.204 -178.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.44 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.36 44.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.615 -0.678 . . . . 0.0 109.746 -179.39 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -121.7 134.32 54.95 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 68' ' ' THR . 8.9 t -96.11 119.27 34.31 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.118 -0.988 . . . . 0.0 110.354 -178.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.542 ' O ' HG23 ' B' ' 69' ' ' THR . 11.1 t -111.28 121.69 45.92 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 44.1 t -122.97 92.83 48.91 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.507 -0.745 . . . . 0.0 109.625 -179.169 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -82.02 66.31 8.37 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.402 2.068 . . . . 0.0 112.037 179.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.468 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 13.5 t90 -66.75 139.9 96.05 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -48.51 148.01 8.55 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 CA-C-N 120.274 1.134 . . . . 0.0 110.158 -179.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 14.1 t-20 -121.75 -56.94 1.84 Allowed 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.42 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.33 126.29 35.81 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -79.7 109.14 13.82 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.73 136.64 38.19 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.697 0.761 . . . . 0.0 110.043 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.585 ' O ' HG23 ' B' ' 78' ' ' THR . 7.9 t -89.82 114.36 60.43 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -91.13 -47.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.592 1.528 . . . . 0.0 114.044 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -122.06 -43.86 2.31 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.4 p90 -60.05 -50.13 74.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.427 -1.42 . . . . 0.0 112.588 -175.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.652 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.6 t30 -74.87 -42.7 57.38 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.242 -1.536 . . . . 0.0 110.34 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.0 -49.95 75.65 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.294 -0.879 . . . . 0.0 110.471 -178.475 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.72 -42.18 98.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.858 -1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' B' ' 81' ' ' TRP . 67.8 p -70.03 -39.97 75.46 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.133 -0.98 . . . . 0.0 109.711 179.795 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -65.23 -40.06 93.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.086 -1.046 . . . . 0.0 108.978 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.97 -46.28 89.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.539 179.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -41.47 92.09 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 108.78 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 67.3 t90 -59.99 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.729 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -67.45 -40.08 85.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.075 -1.016 . . . . 0.0 109.43 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -64.31 -40.01 95.07 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.253 -0.904 . . . . 0.0 110.069 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -59.97 -43.55 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.919 -1.113 . . . . 0.0 108.837 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.7 t -59.98 -40.43 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.53 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -60.94 -40.34 92.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.741 -179.225 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.03 -39.94 75.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.779 -1.2 . . . . 0.0 109.595 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.52 -39.98 85.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.071 -1.018 . . . . 0.0 108.935 179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.06 -48.02 83.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.334 -0.854 . . . . 0.0 109.386 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.12 -41.02 95.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 0.0 109.378 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.41 -40.12 96.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -66.66 -42.91 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.196 -0.94 . . . . 0.0 109.287 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -61.57 -40.67 95.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -47.39 86.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.21 -0.931 . . . . 0.0 109.992 -179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.25 -40.19 93.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.489 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.03 -44.62 96.31 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.195 -0.94 . . . . 0.0 108.863 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.38 -50.03 75.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 109.393 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 7.0 tm-20 -62.62 -40.83 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -0.946 . . . . 0.0 108.983 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.42 86.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.412 -0.805 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.95 -48.07 83.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.03 -1.044 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.97 -49.13 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.182 -0.949 . . . . 0.0 108.986 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.59 -42.31 98.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.283 -0.885 . . . . 0.0 109.603 179.757 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.97 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -0.926 . . . . 0.0 109.515 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.0 -43.39 95.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.34 -0.85 . . . . 0.0 108.987 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -60.73 -47.21 87.31 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.521 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.55 -46.82 88.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.958 -1.088 . . . . 0.0 109.904 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -65.6 -40.26 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.899 -1.126 . . . . 0.0 108.883 179.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.05 -47.75 84.58 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.373 -0.829 . . . . 0.0 109.454 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.47 -40.48 91.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.0 109.762 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.4 -41.92 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.76 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -59.96 -40.56 89.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -60.38 -40.01 89.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 0.0 109.16 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.92 -49.12 78.92 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -115.55 56.62 0.75 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.124 -0.985 . . . . 0.0 109.315 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -71.65 144.34 49.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.666 179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -89.77 60.92 5.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.076 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.379 -0.826 . . . . 0.0 109.27 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.42 ' H ' HG22 ' C' ' 5' ' ' THR . 0.2 OUTLIER -59.92 -45.45 92.52 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 109.0 179.908 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.96 -45.05 93.91 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.116 -0.99 . . . . 0.0 108.571 179.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.34 -39.94 88.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.749 . . . . 0.0 109.533 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.44 89.61 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.112 -0.993 . . . . 0.0 108.651 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.55 -47.2 63.72 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.01 -48.53 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.41 -1.053 . . . . 0.0 109.604 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.96 -44.2 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.067 -1.021 . . . . 0.0 108.998 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.94 -39.93 96.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.332 -0.855 . . . . 0.0 109.686 179.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.08 -41.68 92.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.278 -0.889 . . . . 0.0 109.269 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -61.48 -40.75 95.66 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.137 -0.977 . . . . 0.0 109.31 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.1 -45.84 91.59 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.961 . . . . 0.0 109.329 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.491 HE22 ' CD ' ' A' ' 106' ' ' GLU . 97.7 mt-30 -60.66 -43.0 98.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.636 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.27 -41.78 97.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 109.382 179.401 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -44.37 94.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.268 -0.895 . . . . 0.0 109.089 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.95 -46.71 88.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -0.873 . . . . 0.0 110.055 -179.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.98 -40.15 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.42 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.11 85.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 108.657 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -60.81 -40.83 94.17 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.558 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.61 -40.53 92.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.62 -39.99 90.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 179.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -47.63 85.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.261 -0.899 . . . . 0.0 109.708 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.41 -39.98 89.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.442 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.07 -40.58 98.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.343 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.1 -40.35 89.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.388 -0.82 . . . . 0.0 109.414 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.3 -40.15 93.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.972 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.577 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.62 -40.85 96.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.137 -0.977 . . . . 0.0 109.838 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -62.52 -40.04 95.47 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.036 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.33 -40.0 82.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.434 -0.791 . . . . 0.0 109.305 179.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 110.897 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.43 -51.68 57.28 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.409 -1.377 . . . . 0.0 110.745 -179.014 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.069 -1.254 . . . . 0.0 110.624 -179.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.28 -39.99 94.78 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.073 -1.017 . . . . 0.0 109.429 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.745 HD21 ' NH2' ' C' ' 41' ' ' ARG . 53.0 t-20 -59.96 -40.36 88.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.87 . . . . 0.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.2 -39.94 88.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.095 -1.003 . . . . 0.0 109.456 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.06 -40.18 88.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.046 -1.034 . . . . 0.0 109.178 -179.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -60.51 -40.75 92.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.932 -1.105 . . . . 0.0 108.824 179.351 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.745 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.1 mtt-85 -63.73 -39.89 95.39 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.068 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -42.24 89.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.45 -0.781 . . . . 0.0 108.996 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -59.97 -40.22 88.3 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 118.976 -1.089 . . . . 0.0 109.649 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.62 95.02 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.113 -0.992 . . . . 0.0 108.706 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.01 -38.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.552 -0.718 . . . . 0.0 109.616 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.43 89.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.007 -1.058 . . . . 0.0 109.534 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.25 -42.13 99.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.807 -1.183 . . . . 0.0 109.085 178.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 58.8 m-85 -67.35 -38.34 84.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.921 . . . . 0.0 109.788 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.07 -39.76 87.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.916 -1.115 . . . . 0.0 108.757 179.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -60.01 -39.75 86.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.082 -1.011 . . . . 0.0 108.731 179.201 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -59.99 -39.94 87.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.051 -1.031 . . . . 0.0 109.121 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 109.199 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.7 -33.88 72.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.95 -1.094 . . . . 0.0 109.029 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -58.47 -39.99 81.46 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.56 116.59 18.25 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 21.1 m120 -132.0 -68.34 0.64 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.254 -0.904 . . . . 0.0 109.855 -179.068 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.82 87.52 1.42 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 108.635 179.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -101.59 129.47 47.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.728 -0.607 . . . . 0.0 110.107 -179.245 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 108.58 -5.4 33.07 Favored Glycine 0 N--CA 1.499 2.844 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.149 177.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.1 25.93 0.21 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 120.29 2.045 . . . . 0.0 109.397 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.555 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.96 103.4 15.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.294 -0.879 . . . . 0.0 109.954 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 14.1 m-85 -107.56 6.49 28.01 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.704 -1.247 . . . . 0.0 110.24 179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.56 HH11 ' HG2' ' C' ' 63' ' ' ARG . 0.2 OUTLIER -158.71 24.21 0.22 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.328 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -141.48 151.65 43.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.662 -0.649 . . . . 0.0 109.272 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.79 59.14 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 159.42 44.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.544 -0.723 . . . . 0.0 109.761 -179.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -121.68 134.22 54.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.568 ' O ' HG23 ' C' ' 68' ' ' THR . 9.0 t -95.92 119.37 34.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.058 -1.026 . . . . 0.0 110.282 -178.469 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.551 ' O ' HG23 ' C' ' 69' ' ' THR . 11.0 t -111.43 121.67 45.81 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.665 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 44.2 t -122.89 92.95 48.83 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.402 -0.811 . . . . 0.0 109.583 -179.165 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.04 66.27 8.36 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.313 2.009 . . . . 0.0 111.978 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.479 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 13.6 t90 -66.73 139.78 96.01 Favored Pre-proline 0 N--CA 1.488 1.472 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -48.43 147.94 8.43 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 CA-C-N 120.293 1.141 . . . . 0.0 110.152 -179.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 14.2 t-20 -121.98 -57.18 1.8 Allowed 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.484 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.12 126.11 35.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 26.9 t -79.64 109.25 13.86 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.73 136.45 38.16 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.732 0.777 . . . . 0.0 110.052 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.586 HG23 ' O ' ' C' ' 78' ' ' THR . 8.0 t -89.79 114.37 60.41 Favored Pre-proline 0 N--CA 1.491 1.603 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.635 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -91.16 -47.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.601 1.534 . . . . 0.0 113.984 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -122.29 -43.97 2.28 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.465 -1.397 . . . . 0.0 112.549 -175.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.648 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.0 t30 -74.86 -42.86 57.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.181 -1.575 . . . . 0.0 110.434 -179.395 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.0 -50.07 75.17 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.306 -0.872 . . . . 0.0 110.312 -178.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.51 -42.34 98.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 109.367 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.443 HG23 ' O ' ' C' ' 81' ' ' TRP . 65.2 p -70.03 -39.9 75.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.683 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -65.32 -39.94 93.07 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.927 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.99 -46.14 90.43 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.542 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.91 -41.51 91.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.084 -1.01 . . . . 0.0 108.92 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.8 t90 -60.04 -50.04 75.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.846 . . . . 0.0 110.117 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -67.41 -39.96 85.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.17 -0.957 . . . . 0.0 109.502 -179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -64.43 -39.96 94.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 110.025 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.908 -1.12 . . . . 0.0 108.872 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.08 -40.16 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.571 179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -61.29 -40.41 94.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 110.827 -179.288 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -69.92 -40.02 75.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.822 -1.174 . . . . 0.0 109.605 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.54 -39.98 85.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.078 -1.014 . . . . 0.0 108.872 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.1 -47.92 83.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.378 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.36 -40.51 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.968 . . . . 0.0 109.431 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -63.79 -40.02 95.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.323 -0.861 . . . . 0.0 109.25 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.78 -42.87 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.4 p -61.31 -40.92 95.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.132 -0.98 . . . . 0.0 109.649 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.6 85.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 110.025 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.15 -40.6 94.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.659 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.53 -44.59 96.78 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.141 -0.974 . . . . 0.0 108.913 179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.57 -49.95 75.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.428 179.642 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . 0.485 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 6.8 tm-20 -62.56 -40.87 98.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 0.0 108.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.25 86.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.35 -0.844 . . . . 0.0 109.51 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.08 -49.27 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.144 -0.973 . . . . 0.0 109.041 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -63.26 -42.45 99.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 109.577 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -59.92 -50.11 75.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.0 109.577 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.0 -42.7 94.84 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.357 -0.839 . . . . 0.0 109.049 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.38 -46.69 89.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.371 -0.83 . . . . 0.0 109.625 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.03 -46.64 89.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.952 -1.092 . . . . 0.0 109.818 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.63 -40.49 92.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.852 179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.92 -47.58 85.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.777 . . . . 0.0 109.492 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.61 -40.27 91.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.646 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.83 -41.61 98.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.888 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -59.99 -40.97 90.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.884 -179.532 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.97 -39.94 87.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.87 -49.26 78.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -115.69 56.85 0.75 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.509 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.458 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.494 1.753 0 O-C-N 121.05 -1.031 . . . . 0.0 109.337 179.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.503 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 94.4 mt-30 -83.17 144.99 29.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.245 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.13 61.13 5.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.159 -0.963 . . . . 0.0 108.899 179.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.61 -40.01 92.17 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.42 -0.8 . . . . 0.0 109.259 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.0 t -60.0 -43.96 94.86 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.488 179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -64.06 -40.65 96.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.101 -1.0 . . . . 0.0 108.604 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.63 -39.78 89.54 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.481 -0.762 . . . . 0.0 109.54 179.087 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.28 88.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.114 -0.991 . . . . 0.0 108.896 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.12 -46.49 58.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.19 -47.85 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -1.108 . . . . 0.0 110.091 179.793 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.97 -43.78 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.048 -1.033 . . . . 0.0 108.996 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -39.96 89.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.501 -0.75 . . . . 0.0 109.423 178.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -59.93 -41.18 91.21 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.358 -0.839 . . . . 0.0 109.341 -179.149 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.84 -40.29 96.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.937 -1.102 . . . . 0.0 109.247 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -44.54 94.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.233 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.91 -42.26 98.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.831 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.03 -42.55 99.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 109.843 179.634 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.0 -42.68 94.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.361 -0.837 . . . . 0.0 109.452 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -59.98 -47.99 83.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.99 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.3 -41.06 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.11 -0.994 . . . . 0.0 109.95 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.99 -42.72 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.182 -0.949 . . . . 0.0 108.904 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.13 -42.03 97.79 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.497 0.665 . . . . 0.0 109.271 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 23' ' ' ARG . 55.3 mtt-85 -60.46 -40.2 90.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 110.013 -179.792 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.4 -40.21 90.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.0 109.717 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.05 -47.78 84.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.205 -0.934 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.64 -40.04 92.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.992 . . . . 0.0 109.472 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.49 -40.16 95.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.302 -0.874 . . . . 0.0 109.075 179.064 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.04 -40.41 89.29 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.413 -0.805 . . . . 0.0 109.091 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.65 -40.15 90.97 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 14.4 mt -62.0 -43.41 98.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.048 -1.032 . . . . 0.0 109.165 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -62.58 -40.15 95.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.91 -1.119 . . . . 0.0 109.558 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.31 -40.03 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.0 109.076 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -59.96 -41.86 92.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.843 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.11 -48.85 84.1 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -59.92 -50.01 75.45 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.023 -1.28 . . . . 0.0 109.987 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -60.48 -39.98 89.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.358 -0.839 . . . . 0.0 110.05 179.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 HD21 HH21 ' A' ' 41' ' ' ARG . 51.9 t-20 -59.97 -40.29 88.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.067 -1.021 . . . . 0.0 109.41 -179.461 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.01 -39.92 91.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.134 -0.979 . . . . 0.0 109.42 179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.04 -40.08 88.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.192 -0.943 . . . . 0.0 109.354 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 p -60.48 -40.52 91.59 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.008 -1.057 . . . . 0.0 108.347 179.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 32.1 mtt-85 -64.51 -39.98 94.78 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -41.02 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.583 -0.698 . . . . 0.0 109.386 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.9 p -60.04 -40.0 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.159 -0.963 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.19 81.12 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.891 -1.131 . . . . 0.0 109.462 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.8 -43.39 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 110.872 -179.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -40.08 92.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.536 -1.352 . . . . 0.0 109.815 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -60.01 -40.0 87.75 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.462 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.7 m-85 -68.9 -39.95 79.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.751 179.201 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.93 -40.34 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.741 -1.224 . . . . 0.0 109.575 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -60.18 -40.07 88.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.816 -1.178 . . . . 0.0 108.185 178.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.01 -38.27 82.16 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.72 HE22 ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.62 -39.94 85.96 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.18 -0.95 . . . . 0.0 108.849 -179.667 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.66 77.91 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.847 -1.158 . . . . 0.0 108.649 178.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.151 -0.968 . . . . 0.0 109.59 -179.585 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -72.35 115.75 11.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.011 -1.056 . . . . 0.0 108.275 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.743 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 65.7 m-80 -132.8 -59.72 0.89 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.299 -0.876 . . . . 0.0 110.619 -179.001 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.48 117.32 4.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 -178.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.829 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 80.4 m95 -99.81 121.31 41.1 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.344 -0.848 . . . . 0.0 110.304 -179.735 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.59 27.25 73.58 Favored Glycine 0 N--CA 1.491 2.33 0 C-N-CA 120.101 -1.047 . . . . 0.0 110.8 178.522 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -78.26 23.62 0.28 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 120.618 -1.519 . . . . 0.0 109.436 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.58 112.84 1.97 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.209 -0.932 . . . . 0.0 109.302 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -118.35 12.18 13.29 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -134.35 24.03 3.78 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -143.07 152.48 41.91 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.035 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -101.31 56.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.77 41.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.538 -0.727 . . . . 0.0 109.901 -179.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -129.21 134.63 48.08 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.123 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.53 110.17 21.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.65 -1.281 . . . . 0.0 109.635 -178.767 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 121.7 43.75 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.743 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 83.8 t -126.44 82.26 66.54 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.502 -0.749 . . . . 0.0 109.628 -179.036 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.22 59.4 3.64 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 122.945 2.43 . . . . 0.0 111.324 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 12.6 t90 -71.53 131.87 86.01 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.402 -0.811 . . . . 0.0 109.78 -179.471 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.5 Cg_exo -41.12 149.75 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.269 1.313 . . . . 0.0 110.619 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.678 ' ND2' HE22 ' C' ' 52' ' ' GLN . 10.1 t-20 -129.71 -40.38 1.39 Allowed 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.187 -0.946 . . . . 0.0 109.896 -179.29 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.34 126.4 40.62 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -82.06 109.78 16.7 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.46 136.96 35.67 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.427 0.632 . . . . 0.0 109.687 -178.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 9.6 t -88.06 114.25 58.49 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.586 -0.696 . . . . 0.0 109.13 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -92.05 -48.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 121.744 1.63 . . . . 0.0 114.227 -179.437 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 98.9 mttt -122.04 -43.04 2.35 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -177.3 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -60.02 -49.94 75.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.13 -1.606 . . . . 0.0 112.588 -175.702 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 59.4 t30 -72.14 -41.03 67.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.033 -1.667 . . . . 0.0 111.104 -179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.0 -51.7 68.54 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.927 -1.108 . . . . 0.0 111.792 -177.473 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' A' ' 80' ' ' LYS . 13.2 mp0 -69.5 -39.93 77.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.443 -1.411 . . . . 0.0 109.679 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 81' ' ' TRP . 78.2 p -70.01 -40.03 75.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 109.985 179.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.448 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.8 t-105 -69.21 -39.97 78.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.91 -1.119 . . . . 0.0 109.143 -179.653 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -60.01 -42.22 93.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.819 -1.176 . . . . 0.0 109.012 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.01 -42.6 94.65 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.05 -1.032 . . . . 0.0 108.242 179.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 61.9 t90 -59.95 -50.05 75.29 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.255 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -65.6 -42.99 91.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.108 -0.995 . . . . 0.0 109.666 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -64.53 -40.0 94.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 110.103 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -60.15 -43.08 96.04 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.013 -1.054 . . . . 0.0 108.982 179.666 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.56 -40.17 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.0 109.452 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.97 -43.23 95.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.269 -0.895 . . . . 0.0 110.172 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -67.19 -40.04 86.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.716 -1.24 . . . . 0.0 109.606 -179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.22 -39.98 82.2 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.125 -0.985 . . . . 0.0 108.541 179.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.02 -49.34 78.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 0.0 109.487 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.53 -40.27 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.232 -0.917 . . . . 0.0 109.466 -179.391 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.06 -45.2 93.66 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.45 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 HG13 ' C' ' 20' ' ' VAL . 93.8 mt -60.84 -46.03 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.321 -0.862 . . . . 0.0 109.642 179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 p -60.17 -40.29 89.41 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.0 110.165 -179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.67 98.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.052 -1.03 . . . . 0.0 109.942 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -40.04 87.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.052 -1.03 . . . . 0.0 109.478 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.24 -43.05 99.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.96 -49.9 75.87 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.145 -0.972 . . . . 0.0 108.985 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.67 -41.35 94.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.225 -0.922 . . . . 0.0 109.409 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.91 88.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.02 -47.36 86.15 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.065 -1.022 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.09 -49.64 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.689 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.88 -39.99 83.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.99 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -59.99 -47.54 85.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.039 -1.038 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -63.96 -42.03 97.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.106 -0.996 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.24 -41.14 97.11 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.247 -0.908 . . . . 0.0 108.953 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.45 -46.78 88.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.42 -40.26 93.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 108.987 179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.99 -47.05 87.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.85 -39.95 93.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.207 -0.933 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.03 -41.8 93.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.32 -0.862 . . . . 0.0 109.657 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.536 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.4 mt-30 -60.07 -40.76 90.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 0.0 109.354 -179.508 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.12 -39.87 87.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.314 -0.866 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.55 -47.82 82.94 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.982 -1.074 . . . . 0.0 108.173 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -130.74 62.12 1.61 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.503 -0.748 . . . . 0.0 109.249 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.188 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 94.6 mt-30 -83.35 145.03 29.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.219 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -89.25 61.25 5.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.096 -1.003 . . . . 0.0 108.819 179.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.82 -39.93 91.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.43 -0.794 . . . . 0.0 109.345 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 6' ' ' LEU . 12.6 t -60.03 -43.83 95.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.322 -0.861 . . . . 0.0 109.421 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.555 ' N ' HG23 ' B' ' 5' ' ' THR . 60.6 tp -63.93 -40.53 96.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.76 -39.86 90.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.373 -0.829 . . . . 0.0 109.499 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.92 87.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.139 -0.976 . . . . 0.0 108.823 -179.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.59 -46.46 54.72 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.22 -47.71 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -1.106 . . . . 0.0 110.095 179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.94 -44.3 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.021 -1.049 . . . . 0.0 108.986 -179.397 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.852 . . . . 0.0 109.422 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -60.0 -40.89 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.309 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.89 -40.61 96.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.333 179.12 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -59.97 -44.44 94.47 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.255 -0.903 . . . . 0.0 109.183 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.74 -42.11 98.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.882 . . . . 0.0 109.781 179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.33 -42.39 99.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 109.868 179.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.99 -42.56 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.292 -0.88 . . . . 0.0 109.555 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.98 -48.21 82.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.083 -179.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.415 HG13 HG23 ' C' ' 100' ' ' ILE . 75.3 t -60.21 -40.96 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.018 -1.051 . . . . 0.0 109.889 -179.438 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.97 -42.85 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.238 -0.914 . . . . 0.0 108.94 -179.649 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.23 -41.86 97.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.581 -0.699 . . . . 0.0 109.348 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.2 mtt-85 -60.59 -40.13 90.61 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.389 -0.819 . . . . 0.0 110.133 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.38 -40.47 90.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 109.656 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.01 -47.62 85.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.132 -0.98 . . . . 0.0 109.549 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.53 -40.08 92.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.69 -40.15 96.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.295 -0.878 . . . . 0.0 109.119 179.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.99 -40.28 88.61 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.39 -0.819 . . . . 0.0 109.059 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.99 91.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.264 -0.898 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 14.2 mt -62.12 -42.91 99.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.027 -1.046 . . . . 0.0 109.114 179.758 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -63.32 -40.04 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.022 -1.049 . . . . 0.0 109.548 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.25 -39.92 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.385 -0.822 . . . . 0.0 109.035 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -60.11 -41.77 93.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.424 -0.797 . . . . 0.0 109.798 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.66 85.01 Favored Glycine 0 N--CA 1.488 2.118 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.066 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.97 -50.1 75.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.111 -1.229 . . . . 0.0 109.865 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -60.45 -39.98 89.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.845 . . . . 0.0 110.035 179.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.432 HD21 HH21 ' B' ' 41' ' ' ARG . 51.3 t-20 -60.05 -40.02 87.99 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.11 -0.994 . . . . 0.0 109.422 -179.447 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.14 -39.97 92.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 109.422 179.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.96 -40.31 88.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.187 -0.946 . . . . 0.0 109.375 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 51.9 p -60.21 -40.58 90.65 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.994 -1.066 . . . . 0.0 108.288 179.287 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.529 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.4 mtt-85 -64.57 -40.01 94.78 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.462 -0.774 . . . . 0.0 109.328 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 68.2 p -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.081 -1.012 . . . . 0.0 108.927 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.48 82.07 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.508 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.59 -43.44 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.0 110.846 -179.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.44 -39.95 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.447 -1.408 . . . . 0.0 109.816 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.05 -40.15 88.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.651 -1.281 . . . . 0.0 109.354 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 56.1 m-85 -68.8 -39.9 79.87 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 109.855 179.164 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.651 -1.28 . . . . 0.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.21 -39.99 88.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.733 -1.23 . . . . 0.0 108.262 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.99 -38.42 82.54 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.285 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.691 ' N ' HE21 ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.39 -40.01 85.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.959 . . . . 0.0 108.825 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -36.95 78.14 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.889 -1.132 . . . . 0.0 108.587 178.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.87 -40.11 87.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.171 -0.955 . . . . 0.0 109.54 -179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -71.91 115.72 11.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.95 -1.093 . . . . 0.0 108.214 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.75 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 66.5 m-80 -132.65 -60.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.203 -0.935 . . . . 0.0 110.632 -179.056 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.829 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.33 117.27 4.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.25 -0.906 . . . . 0.0 109.845 -178.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.847 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 80.2 m95 -99.83 121.2 40.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.264 -0.898 . . . . 0.0 110.367 -179.686 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.79 26.66 73.78 Favored Glycine 0 N--CA 1.492 2.382 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.76 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -77.86 23.4 0.25 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.758 -1.437 . . . . 0.0 109.515 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.59 112.75 1.96 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.164 -0.96 . . . . 0.0 109.268 179.33 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -118.1 12.02 13.47 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 121.467 -0.771 . . . . 0.0 110.43 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -134.05 24.03 3.88 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.407 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -143.11 152.48 41.88 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.47 56.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.28 158.81 42.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.619 -0.676 . . . . 0.0 110.05 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -129.33 134.56 47.97 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.406 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.39 110.12 20.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.68 -1.263 . . . . 0.0 109.619 -178.679 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.09 121.98 44.74 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.66 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.75 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 91.8 t -126.9 82.16 68.24 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 109.616 -179.098 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.97 59.49 3.83 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.789 2.326 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -71.52 131.61 86.22 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.652 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -41.12 149.88 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.24 1.293 . . . . 0.0 110.656 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.72 ' ND2' HE22 ' A' ' 52' ' ' GLN . 10.1 t-20 -129.74 -40.4 1.38 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.245 -0.909 . . . . 0.0 109.792 -179.267 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.5 126.41 40.77 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 108.759 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -81.99 109.84 16.7 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.32 136.58 35.77 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.466 0.65 . . . . 0.0 109.692 -178.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.603 ' O ' HG23 ' B' ' 78' ' ' THR . 9.6 t -87.83 114.01 57.19 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.152 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -91.92 -48.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 121.699 1.599 . . . . 0.0 114.234 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' B' ' 84' ' ' GLU . 98.9 mttt -122.07 -42.86 2.36 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.332 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -59.92 -49.86 76.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.128 -1.608 . . . . 0.0 112.652 -175.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 60.0 t30 -72.25 -41.1 67.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.083 -1.636 . . . . 0.0 111.031 -179.394 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.98 -51.63 68.86 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.994 -1.066 . . . . 0.0 111.953 -177.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 80' ' ' LYS . 13.1 mp0 -69.3 -40.01 77.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.404 -1.435 . . . . 0.0 109.622 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.7 p -70.07 -39.95 75.34 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.201 -0.937 . . . . 0.0 110.089 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.431 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 46.8 t-105 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.895 -1.128 . . . . 0.0 109.149 -179.78 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.06 -42.44 94.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.825 -1.172 . . . . 0.0 108.983 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.98 -42.38 94.07 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.244 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 61.9 t90 -59.99 -49.99 75.5 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.549 -0.719 . . . . 0.0 109.575 179.245 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.61 -43.0 90.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.932 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.24 -0.913 . . . . 0.0 110.104 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.452 ' HZ3' HD11 ' B' ' 96' ' ' LEU . 65.5 tttm -60.17 -43.06 96.11 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.084 -1.01 . . . . 0.0 108.961 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.74 -40.11 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.341 -0.849 . . . . 0.0 109.596 179.5 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 48.6 t0 -59.91 -42.74 94.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.171 -0.955 . . . . 0.0 110.181 -178.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.74 -40.01 84.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.77 -1.207 . . . . 0.0 109.482 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.452 HD11 ' HZ3' ' B' ' 92' ' ' LYS . 86.3 mt -68.41 -39.97 81.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.139 -0.976 . . . . 0.0 108.666 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.98 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 109.525 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.57 -40.32 91.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.214 -0.928 . . . . 0.0 109.462 -179.322 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -60.15 -45.34 93.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.242 -0.911 . . . . 0.0 109.359 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.49 -46.15 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.267 -0.895 . . . . 0.0 109.709 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 44.8 p -60.03 -40.2 88.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.0 110.253 -179.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.9 97.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 110.085 -179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.89 -39.9 87.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.0 109.541 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.29 -43.04 99.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.96 -49.78 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.152 -0.968 . . . . 0.0 108.972 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.0 109.447 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.73 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.93 -47.78 84.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 109.294 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.86 -49.72 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.878 . . . . 0.0 109.743 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -67.68 -39.99 84.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.928 . . . . 0.0 109.862 -179.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.98 -47.97 83.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.07 -1.019 . . . . 0.0 109.324 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.74 -41.97 97.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.063 -1.023 . . . . 0.0 109.411 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -64.41 -40.77 96.42 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.227 -0.921 . . . . 0.0 108.969 -179.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.308 -0.87 . . . . 0.0 109.359 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -65.57 -40.44 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.357 -0.839 . . . . 0.0 109.077 179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -60.02 -46.76 88.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.333 -0.854 . . . . 0.0 109.777 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.81 -40.04 93.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.202 -0.936 . . . . 0.0 109.21 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.0 -41.87 93.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.349 -0.844 . . . . 0.0 109.638 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.3 mt-30 -60.2 -40.39 89.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 -179.41 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -60.41 -39.72 88.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 0.0 109.56 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.77 -47.89 83.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -130.63 62.19 1.6 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.449 -0.782 . . . . 0.0 109.272 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.074 -1.016 . . . . 0.0 109.165 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.493 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.387 0.613 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 93.9 mt-30 -83.1 145.07 29.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.136 -0.977 . . . . 0.0 109.209 179.87 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -89.0 61.32 5.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 108.867 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.8 -40.01 91.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.478 -0.764 . . . . 0.0 109.346 179.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.546 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.18 -43.2 96.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.306 -0.871 . . . . 0.0 109.491 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.546 ' N ' HG23 ' C' ' 5' ' ' THR . 62.0 tp -64.61 -40.53 95.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.503 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.67 -39.79 89.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.506 -0.746 . . . . 0.0 109.598 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.12 88.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 108.921 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.35 -46.33 57.04 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.28 -47.81 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -1.097 . . . . 0.0 110.178 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 58.6 t -59.96 -44.21 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.946 -1.096 . . . . 0.0 108.886 -179.418 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.422 -0.799 . . . . 0.0 109.437 178.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -59.93 -41.13 91.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.267 -0.895 . . . . 0.0 109.275 -179.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.94 -40.27 96.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.962 -1.086 . . . . 0.0 109.246 179.278 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.0 -45.01 94.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.262 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.07 -43.16 99.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.792 179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.57 -42.5 98.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.883 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -42.63 94.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.3 -0.875 . . . . 0.0 109.603 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.01 -48.0 83.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 110.12 -179.221 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.411 HG13 HG23 ' A' ' 100' ' ' ILE . 78.9 t -60.29 -41.1 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 0.0 109.784 -179.498 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.89 -43.08 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.161 -0.962 . . . . 0.0 108.903 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.8 -42.09 96.94 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.608 -0.683 . . . . 0.0 109.392 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' C' ' 23' ' ' ARG . 54.7 mtt-85 -60.5 -40.08 90.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 110.13 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.46 -40.32 90.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -59.97 -47.71 84.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -0.957 . . . . 0.0 109.662 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.48 -40.03 92.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 109.491 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.52 -40.56 97.15 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.029 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.99 -40.43 89.12 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.361 -0.837 . . . . 0.0 109.121 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.33 -40.27 90.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.261 -0.899 . . . . 0.0 109.494 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.523 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 14.3 mt -61.98 -43.42 98.89 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.994 -1.066 . . . . 0.0 109.118 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.2 p -62.59 -40.05 95.67 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.056 -1.028 . . . . 0.0 109.488 179.782 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.34 -39.95 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.397 -0.814 . . . . 0.0 109.036 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.515 -0.741 . . . . 0.0 109.739 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.99 -48.81 84.28 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -60.05 -49.92 75.75 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.116 -1.226 . . . . 0.0 109.908 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -60.48 -40.03 89.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 0.0 109.852 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.452 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -59.97 -40.37 88.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.0 -1.062 . . . . 0.0 109.408 -179.371 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.7 -39.91 90.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.117 -0.99 . . . . 0.0 109.431 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.03 -40.33 88.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.223 -0.923 . . . . 0.0 109.336 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' C' ' 43' ' ' THR . 52.8 p -60.25 -40.73 91.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.058 . . . . 0.0 108.284 179.383 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.516 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 32.0 mtt-85 -64.43 -39.97 94.86 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.04 -41.02 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.601 -0.687 . . . . 0.0 109.374 179.596 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 40' ' ' THR . 66.9 p -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.032 -1.042 . . . . 0.0 108.896 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.54 82.12 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.93 -1.106 . . . . 0.0 109.509 179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.45 -43.61 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.913 -179.426 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.13 -39.96 92.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.53 -1.356 . . . . 0.0 109.883 -179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -60.06 -40.24 88.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.644 -1.285 . . . . 0.0 109.436 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 56.0 m-85 -68.76 -39.94 79.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.969 -1.082 . . . . 0.0 109.864 179.258 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.623 -1.298 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.779 -1.201 . . . . 0.0 108.203 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.97 -38.5 82.69 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.678 HE22 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.38 -40.0 85.14 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.109 -0.994 . . . . 0.0 108.826 -179.546 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -36.96 78.37 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.938 -1.101 . . . . 0.0 108.556 178.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.94 -39.92 87.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.173 -0.954 . . . . 0.0 109.572 -179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -72.14 115.93 11.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.954 -1.091 . . . . 0.0 108.305 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.742 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 66.9 m-80 -132.99 -59.99 0.87 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.285 -0.884 . . . . 0.0 110.636 -179.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.847 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.0 117.24 4.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.095 -1.003 . . . . 0.0 109.831 -178.927 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.813 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 80.3 m95 -99.85 121.34 41.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.223 -0.923 . . . . 0.0 110.302 -179.688 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.69 26.71 73.7 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.972 -1.108 . . . . 0.0 110.724 178.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -77.97 23.49 0.26 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.689 -1.477 . . . . 0.0 109.526 -179.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.38 112.63 2.0 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 109.275 179.38 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -118.29 12.1 13.32 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.373 -0.83 . . . . 0.0 110.412 179.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -134.23 24.08 3.82 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -143.14 152.43 41.8 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.038 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 t -101.35 56.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.51 158.91 42.01 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.525 0.678 . . . . 0.0 110.004 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -129.39 134.71 48.0 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.428 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.45 110.36 21.19 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.714 -178.737 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.07 122.07 45.01 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.712 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.742 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 91.4 t -127.01 82.18 68.56 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -87.35 59.46 3.55 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.783 2.322 . . . . 0.0 111.327 179.189 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -71.45 131.88 86.14 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.443 -0.786 . . . . 0.0 109.803 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.18 149.76 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 121.377 1.385 . . . . 0.0 110.6 178.565 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.675 ' ND2' HE22 ' B' ' 52' ' ' GLN . 10.1 t-20 -129.8 -40.3 1.38 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.24 -0.913 . . . . 0.0 109.729 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.44 126.44 40.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.339 -0.851 . . . . 0.0 108.706 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -82.06 109.56 16.49 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -81.24 136.69 35.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.436 0.636 . . . . 0.0 109.64 -178.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.608 HG23 ' O ' ' C' ' 78' ' ' THR . 9.8 t -88.01 114.24 58.37 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.558 -0.713 . . . . 0.0 109.078 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -91.89 -48.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.728 1.618 . . . . 0.0 114.121 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . 0.456 ' O ' ' OE1' ' C' ' 84' ' ' GLU . 98.9 mttt -121.83 -42.74 2.39 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -60.0 -49.91 75.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.08 -1.638 . . . . 0.0 112.641 -175.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 59.3 t30 -72.23 -41.13 67.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.035 -1.665 . . . . 0.0 111.062 -179.331 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.99 -51.58 69.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.992 -1.067 . . . . 0.0 111.97 -177.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' C' ' 80' ' ' LYS . 13.1 mp0 -69.43 -40.0 77.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.384 -1.447 . . . . 0.0 109.669 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.458 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -69.96 -40.01 75.67 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.114 -0.991 . . . . 0.0 109.987 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.456 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.9 t-105 -69.42 -39.95 77.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.876 -1.14 . . . . 0.0 109.131 -179.549 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -60.02 -42.16 93.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.784 -1.197 . . . . 0.0 108.921 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -59.99 -42.59 94.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.97 -1.081 . . . . 0.0 108.273 179.082 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 109.57 179.386 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -65.5 -43.08 91.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 109.665 179.63 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -64.27 -40.07 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.155 -0.965 . . . . 0.0 110.098 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -42.85 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.927 -1.108 . . . . 0.0 108.881 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.75 -40.13 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.524 179.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 47.3 t0 -60.07 -42.92 95.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 110.271 -178.86 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -67.35 -40.09 85.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 0.0 109.414 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -40.02 81.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.09 -1.006 . . . . 0.0 108.568 179.253 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.93 -49.08 79.1 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.431 -0.793 . . . . 0.0 109.543 179.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.5 -40.37 91.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -59.94 -45.59 92.12 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 0.0 109.493 179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.415 HG23 HG13 ' B' ' 20' ' ' VAL . 93.6 mt -60.55 -46.13 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.869 . . . . 0.0 109.697 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.5 p -60.07 -40.27 88.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.878 . . . . 0.0 110.174 -179.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.15 97.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.129 -0.982 . . . . 0.0 109.923 -179.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.6 -40.05 88.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.05 -1.031 . . . . 0.0 109.584 -179.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -42.98 99.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.105 -0.997 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.0 -49.87 75.99 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.141 -0.975 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -41.02 95.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.319 -0.863 . . . . 0.0 109.432 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.66 89.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.56 -179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -59.92 -47.69 84.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.958 . . . . 0.0 109.381 -179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -49.81 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.875 . . . . 0.0 109.656 179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.63 -40.0 84.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -0.923 . . . . 0.0 110.048 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.02 -47.92 83.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.98 -1.075 . . . . 0.0 109.299 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.62 -42.17 98.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.056 -1.027 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -64.22 -40.58 96.35 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.263 -0.898 . . . . 0.0 109.119 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.4 -45.76 91.67 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.257 -0.902 . . . . 0.0 109.326 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.99 -40.24 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.341 -0.85 . . . . 0.0 108.983 179.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.99 -46.99 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 179.432 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -40.01 93.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.199 -0.938 . . . . 0.0 109.172 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.99 -41.82 92.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.384 -0.823 . . . . 0.0 109.61 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.3 mt-30 -60.28 -40.58 90.94 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.248 -0.908 . . . . 0.0 109.347 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -60.02 -39.12 84.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.48 -47.65 84.68 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -130.69 62.21 1.6 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.546 -0.721 . . . . 0.0 109.263 178.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.06 -1.025 . . . . 0.0 109.17 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.389 0.614 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 77.7 mt-30 -77.38 144.92 37.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.02 60.89 5.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 109.497 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.22 -40.03 93.54 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.364 -0.835 . . . . 0.0 109.154 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -41.73 94.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.227 -0.921 . . . . 0.0 109.341 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.9 -44.75 94.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.924 . . . . 0.0 108.613 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.14 -39.72 87.34 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.65 -0.656 . . . . 0.0 109.521 179.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.17 90.88 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 108.572 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.2 63.33 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 178.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.99 -46.12 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.429 -1.042 . . . . 0.0 109.393 179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -45.53 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.084 -179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.13 -40.05 88.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 0.0 109.898 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.7 tp-100 -60.0 -40.46 89.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.79 -40.68 93.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.024 -1.047 . . . . 0.0 109.062 179.293 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.03 -43.83 95.04 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.293 -0.879 . . . . 0.0 108.849 179.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' OE1' ' B' ' 110' ' ' GLN . 27.5 mt-30 -60.79 -44.72 96.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 109.62 179.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.257 -0.902 . . . . 0.0 109.235 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD11 HD23 ' A' ' 104' ' ' LEU . 64.0 tp -60.07 -42.25 94.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.843 . . . . 0.0 108.885 179.537 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.02 -47.32 86.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.377 -0.827 . . . . 0.0 110.061 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.02 -39.98 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.824 -179.424 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.09 -41.14 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.167 -0.958 . . . . 0.0 108.731 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.56 -39.99 93.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.603 -0.686 . . . . 0.0 109.265 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -59.94 -41.51 91.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 0.0 108.887 179.73 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.29 -40.02 88.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.117 -0.989 . . . . 0.0 109.628 179.534 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -60.0 -48.48 81.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 109.064 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -44.04 97.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.99 . . . . 0.0 109.246 179.661 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.64 -40.35 94.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.417 -0.802 . . . . 0.0 109.38 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.79 -40.11 91.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 109.495 179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.98 -40.52 89.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.7 mt -62.27 -41.49 98.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 109.51 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -65.44 -39.87 92.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.053 -1.03 . . . . 0.0 109.81 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.14 -40.12 84.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.818 . . . . 0.0 109.053 -179.759 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -60.02 -45.4 92.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.408 -0.808 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.25 -46.09 93.29 Favored Glycine 0 N--CA 1.49 2.233 0 C-N-CA 119.625 -1.274 . . . . 0.0 109.976 -179.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 m -60.01 -49.48 77.5 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -1.231 . . . . 0.0 109.255 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -62.03 -40.06 94.43 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.289 -0.882 . . . . 0.0 109.213 179.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.581 HD21 HD21 ' B' ' 82' ' ' ASN . 50.2 t-20 -60.0 -40.37 88.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.98 -40.03 87.72 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.04 -1.037 . . . . 0.0 108.51 179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.823 . . . . 0.0 109.947 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.4 p -60.04 -41.06 91.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.843 -1.161 . . . . 0.0 108.57 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.563 HH22 ' CG ' ' B' ' 82' ' ' ASN . 53.2 mtt-85 -63.91 -39.92 95.28 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.647 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.04 -42.28 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.413 -0.804 . . . . 0.0 109.384 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.9 p -60.09 -39.95 87.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.581 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.06 76.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.533 -1.354 . . . . 0.0 108.808 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.39 -40.57 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.74 . . . . 0.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -40.03 90.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.81 -1.181 . . . . 0.0 109.237 -179.38 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.96 -40.06 91.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.002 -1.061 . . . . 0.0 108.897 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.434 ' HH ' ' HG ' ' B' ' 76' ' ' SER . 48.8 m-85 -69.44 -40.09 77.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.28 -0.888 . . . . 0.0 109.878 179.389 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CA ' HD22 ' A' ' 74' ' ' ASN . 80.4 mt -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.654 -1.279 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.88 -40.02 91.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.4 -1.438 . . . . 0.0 108.681 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.98 -38.19 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.242 -0.911 . . . . 0.0 109.07 179.057 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -39.94 80.49 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.196 -0.94 . . . . 0.0 108.81 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -39.9 87.4 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.81 -1.181 . . . . 0.0 108.189 179.327 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.12 -39.99 88.16 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.348 -0.845 . . . . 0.0 109.325 179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -69.88 116.29 10.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.957 -1.09 . . . . 0.0 108.366 -179.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.745 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.9 m-80 -132.05 -61.72 0.87 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.592 -0.692 . . . . 0.0 110.119 -179.274 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -156.4 115.33 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 110.186 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 76.0 m95 -103.59 129.84 50.91 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.378 -0.827 . . . . 0.0 110.023 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' O ' ' CE2' ' A' ' 62' ' ' PHE . . . 69.88 12.75 68.39 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.534 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.4 0.24 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.858 -1.378 . . . . 0.0 109.462 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.98 74.15 0.84 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.114 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CE2' ' O ' ' A' ' 59' ' ' GLY . 52.1 m-85 -97.12 10.78 38.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.844 -1.16 . . . . 0.0 109.22 179.476 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 63' ' ' ARG . 8.1 mmt-85 -140.31 23.77 2.33 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.595 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.6 152.4 36.7 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.46 57.17 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.101 -0.999 . . . . 0.0 108.675 179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.53 158.08 42.02 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.668 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -129.42 133.19 47.21 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 68' ' ' THR . 14.9 t -91.37 115.51 28.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.643 -1.286 . . . . 0.0 109.195 -179.15 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.24 119.86 40.34 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.634 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.745 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 t -127.71 79.39 73.63 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.461 -0.775 . . . . 0.0 109.105 -179.638 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.63 62.04 6.31 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.703 2.268 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' PRO . 10.8 t90 -69.83 135.37 87.78 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' TRP . 77.5 Cg_exo -39.36 148.46 0.13 Allowed 'Trans proline' 0 N--CA 1.487 1.12 0 C-N-CA 121.465 1.443 . . . . 0.0 110.981 179.697 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.506 HD22 ' CA ' ' A' ' 49' ' ' LEU . 62.8 t30 -131.01 -4.59 3.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.847 . . . . 0.0 109.248 -178.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.94 121.56 8.03 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' OG ' ' OH ' ' C' ' 48' ' ' TYR . 18.8 m -81.86 107.44 14.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.746 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 mt -85.82 136.18 33.41 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.8 -178.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 78' ' ' THR . 14.3 t -91.42 113.05 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.489 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -93.97 -46.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.069 0 C-N-CA 121.558 1.505 . . . . 0.0 115.024 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.54 -46.86 2.36 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.262 -0.899 . . . . 0.0 113.285 -176.629 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.3 p90 -60.15 -55.41 34.16 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.481 -1.387 . . . . 0.0 112.553 -176.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.681 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.9 t-20 -76.82 -33.17 57.96 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.117 -1.615 . . . . 0.0 109.897 -178.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.97 -46.73 88.5 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.296 -0.878 . . . . 0.0 109.143 -179.066 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.86 -39.98 94.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.96 -1.087 . . . . 0.0 109.613 179.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 81' ' ' TRP . 79.4 p -69.41 -39.92 77.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.068 -1.02 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -64.72 -39.93 94.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.028 -1.045 . . . . 0.0 109.366 -179.426 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.09 -39.98 88.0 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.68 -1.263 . . . . 0.0 108.459 179.544 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -39.98 96.18 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.0 -42.39 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.603 -0.686 . . . . 0.0 109.268 179.583 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.59 -40.06 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.013 -1.055 . . . . 0.0 109.154 179.447 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.34 -40.0 85.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.365 -0.835 . . . . 0.0 110.246 -179.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.24 -43.66 95.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.837 -1.164 . . . . 0.0 108.913 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -43.52 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.181 -0.949 . . . . 0.0 109.614 179.474 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.05 -42.54 94.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.0 110.53 -178.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.3 -39.89 81.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.834 -1.166 . . . . 0.0 109.874 -179.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.25 -39.91 82.12 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.981 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.85 -46.41 90.69 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.15 -0.969 . . . . 0.0 109.413 179.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.06 -43.02 99.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.153 -0.967 . . . . 0.0 109.369 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -60.51 -44.33 96.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.253 -0.904 . . . . 0.0 109.632 -179.837 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.63 -45.58 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 0.0 109.623 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.2 p -60.37 -41.83 94.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.957 . . . . 0.0 109.508 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.49 77.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 0.0 109.314 179.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.02 -45.63 92.17 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.336 -0.853 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 18' ' ' LEU . 88.0 mt -60.09 -43.37 95.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.167 -0.958 . . . . 0.0 109.208 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.03 -46.94 87.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.443 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -42.06 96.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.435 -0.791 . . . . 0.0 109.805 -179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.09 98.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 0.0 109.736 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -59.98 -47.82 84.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.194 -0.941 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.01 -49.97 81.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.344 -0.848 . . . . 0.0 109.52 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 96.1 mt-30 -67.16 -40.06 86.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.897 . . . . 0.0 109.979 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.02 -48.36 82.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 109.46 -179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.09 -40.57 98.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.008 -1.057 . . . . 0.0 109.722 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.13 -39.98 93.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.072 -1.017 . . . . 0.0 110.107 179.541 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.68 -43.14 98.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.992 -1.067 . . . . 0.0 109.545 -179.734 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.22 -39.97 78.25 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.972 -1.08 . . . . 0.0 108.746 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.631 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 61.4 t80 -60.03 -48.9 79.82 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.52 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -40.04 88.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 0.0 109.304 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.0 -40.57 89.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.307 -0.87 . . . . 0.0 109.153 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -61.63 -40.1 93.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.097 -1.002 . . . . 0.0 109.506 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.631 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.3 mmtm -60.07 -39.77 87.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.151 -0.968 . . . . 0.0 109.551 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.9 -46.02 88.89 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.64 62.89 1.46 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.499 -0.75 . . . . 0.0 109.23 178.79 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.09 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.23 144.82 37.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.907 . . . . 0.0 109.439 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 60.89 5.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.941 . . . . 0.0 109.475 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.11 -40.0 93.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.412 -0.805 . . . . 0.0 109.136 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -41.91 95.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.367 -0.833 . . . . 0.0 109.264 179.691 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.3 94.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 108.63 179.694 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.4 -39.75 88.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.587 -0.695 . . . . 0.0 109.616 179.2 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.47 91.26 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.176 -0.953 . . . . 0.0 108.605 -179.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -46.23 65.09 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 178.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -46.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.444 -1.033 . . . . 0.0 109.378 179.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.94 -45.32 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.38 -39.98 89.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.5 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.7 tp-100 -59.99 -40.68 90.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 0.0 109.301 -179.22 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.51 -40.74 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.17 -0.956 . . . . 0.0 109.034 179.346 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.13 -44.12 95.15 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 108.865 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' C' ' 110' ' ' GLN . 27.6 mt-30 -60.48 -44.64 95.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.244 -0.91 . . . . 0.0 109.353 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.453 HD11 HD23 ' B' ' 104' ' ' LEU . 64.1 tp -60.09 -42.11 93.92 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.0 108.929 179.451 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -59.96 -47.42 85.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.327 -0.858 . . . . 0.0 110.108 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.103 -0.998 . . . . 0.0 109.771 -179.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -41.31 85.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 O-C-N 121.154 -0.966 . . . . 0.0 108.742 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' B' ' 22' ' ' LYS . 7.7 ttpm? -61.57 -40.04 93.31 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.607 -0.683 . . . . 0.0 109.274 179.513 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.416 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 10.3 mpt_? -59.95 -41.44 91.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.0 108.858 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.27 -40.01 88.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.001 -1.062 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -59.98 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.019 -1.051 . . . . 0.0 109.183 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.05 -44.14 97.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.168 -0.957 . . . . 0.0 109.109 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.58 -40.69 95.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.392 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.53 -40.33 91.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.193 -0.942 . . . . 0.0 109.417 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.97 -40.42 88.99 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.213 -0.929 . . . . 0.0 109.474 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.552 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.6 mt -62.42 -41.26 98.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.138 -0.976 . . . . 0.0 109.497 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.2 p -65.3 -40.13 93.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.052 -1.03 . . . . 0.0 109.739 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.92 -40.24 84.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.211 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -60.03 -45.4 92.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.375 -0.828 . . . . 0.0 110.232 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.15 93.26 Favored Glycine 0 N--CA 1.487 2.034 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -179.467 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 65.0 m -59.93 -49.81 76.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.061 -1.259 . . . . 0.0 109.238 -179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.75 -40.03 93.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.205 179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.547 HD21 HD21 ' C' ' 82' ' ' ASN . 50.7 t-20 -59.97 -40.35 88.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.526 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.16 88.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.025 -1.047 . . . . 0.0 108.439 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -60.52 -40.26 90.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.388 -0.82 . . . . 0.0 109.844 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.2 p -60.08 -41.08 91.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.963 -1.085 . . . . 0.0 108.604 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.556 HH22 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.07 -42.41 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 60.4 p -59.93 -40.0 87.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.022 -1.049 . . . . 0.0 109.603 -179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.14 75.88 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.507 -1.371 . . . . 0.0 108.693 179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.14 -40.64 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -0.783 . . . . 0.0 110.202 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -39.92 90.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.806 -1.183 . . . . 0.0 109.228 -179.334 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.94 -40.09 91.95 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.941 -1.1 . . . . 0.0 108.792 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.47 -40.08 77.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -0.946 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.496 ' CA ' HD22 ' B' ' 74' ' ' ASN . 79.6 mt -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.687 -1.258 . . . . 0.0 108.849 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.98 -40.01 91.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.39 -1.444 . . . . 0.0 108.584 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.98 -38.26 82.03 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 108.972 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.661 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.25 -40.03 80.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 108.733 -179.871 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.9 -40.03 87.38 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.928 -1.107 . . . . 0.0 108.131 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.422 -0.799 . . . . 0.0 109.361 179.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 64.4 mt -69.85 116.31 10.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.888 -1.132 . . . . 0.0 108.311 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.739 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.0 m-80 -132.19 -61.7 0.86 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.612 -0.68 . . . . 0.0 109.991 -179.138 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -156.48 115.36 3.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.191 -0.943 . . . . 0.0 110.172 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.579 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 75.5 m95 -103.69 129.78 51.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.447 -0.783 . . . . 0.0 109.972 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.446 ' O ' ' CE2' ' B' ' 62' ' ' PHE . . . 69.93 12.87 68.73 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 120.088 -1.053 . . . . 0.0 110.538 178.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.44 25.46 0.24 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.775 -1.427 . . . . 0.0 109.542 -179.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.89 74.16 0.85 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.907 . . . . 0.0 109.978 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.446 ' CE2' ' O ' ' B' ' 59' ' ' GLY . 51.1 m-85 -97.0 10.74 38.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.838 -1.164 . . . . 0.0 109.251 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' B' ' 63' ' ' ARG . 8.2 mmt-85 -140.38 23.78 2.32 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.521 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -148.48 152.31 36.67 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.563 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.47 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.18 -0.95 . . . . 0.0 108.649 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.39 158.08 42.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.581 -0.699 . . . . 0.0 109.626 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -129.5 133.18 47.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.191 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.612 HG23 ' O ' ' B' ' 68' ' ' THR . 15.0 t -91.44 115.5 28.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 109.134 -179.114 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.21 119.99 40.78 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.739 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 92.0 t -127.8 79.26 73.91 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.519 -0.738 . . . . 0.0 109.144 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -84.6 62.23 6.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.754 2.303 . . . . 0.0 111.405 179.639 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -69.97 135.63 87.44 Favored Pre-proline 0 N--CA 1.487 1.409 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -39.48 148.48 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 121.394 1.396 . . . . 0.0 110.966 179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.496 HD22 ' CA ' ' B' ' 49' ' ' LEU . 62.8 t30 -131.13 -4.35 3.91 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 -179.047 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.07 121.37 7.84 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.434 ' HG ' ' HH ' ' A' ' 48' ' ' TYR . 19.0 m -81.88 107.26 14.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.834 -1.166 . . . . 0.0 108.003 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.63 136.19 33.48 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.823 -178.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.647 ' O ' HG23 ' B' ' 78' ' ' THR . 14.7 t -91.37 112.88 56.41 Favored Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.411 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -94.02 -47.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.651 1.567 . . . . 0.0 115.003 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 84' ' ' GLU . 62.6 tttm -120.52 -46.79 2.36 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.256 -0.902 . . . . 0.0 113.223 -176.625 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.4 p90 -60.07 -55.51 33.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.495 -1.378 . . . . 0.0 112.614 -176.421 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.0 t-20 -76.72 -33.35 58.18 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.05 -1.656 . . . . 0.0 109.965 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.04 -46.19 90.35 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.194 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' B' ' 80' ' ' LYS . 98.9 mt-10 -65.07 -40.29 94.45 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.867 -1.145 . . . . 0.0 109.584 179.475 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 81' ' ' TRP . 78.4 p -69.26 -40.02 78.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 0.0 109.737 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -64.55 -39.99 94.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.993 -1.067 . . . . 0.0 109.386 -179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -40.08 88.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.725 -1.234 . . . . 0.0 108.483 179.535 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -40.05 96.59 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.7 t90 -60.02 -42.32 94.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.617 -0.677 . . . . 0.0 109.264 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.56 -40.03 77.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.031 -1.043 . . . . 0.0 109.239 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.4 -40.01 85.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.279 -0.888 . . . . 0.0 110.279 -179.523 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.37 -43.7 96.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.906 -1.121 . . . . 0.0 108.866 179.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -43.46 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.896 . . . . 0.0 109.636 179.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -60.08 -42.25 94.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 110.5 -178.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -68.87 -39.93 79.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.827 -1.17 . . . . 0.0 109.87 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.94 -39.93 83.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.002 -1.061 . . . . 0.0 108.995 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.6 -47.12 87.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.08 -1.012 . . . . 0.0 109.43 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.17 -43.78 95.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.0 109.399 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -60.11 -44.46 94.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 109.54 -179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.33 -45.53 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.717 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 54.2 p -60.61 -41.84 95.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.017 . . . . 0.0 109.528 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.46 77.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.097 -1.002 . . . . 0.0 109.226 179.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.5 mt -59.98 -45.66 91.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.452 -0.78 . . . . 0.0 109.581 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.03 -43.4 95.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 109.098 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.02 -46.94 87.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.61 -42.11 96.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.395 -0.816 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.45 99.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.155 -0.966 . . . . 0.0 109.739 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -59.94 -47.75 84.53 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 0.0 109.201 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.97 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.299 -0.875 . . . . 0.0 109.499 179.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.527 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 95.8 mt-30 -67.25 -40.09 86.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.418 -0.801 . . . . 0.0 110.037 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -59.97 -48.16 82.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 109.392 -179.387 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.21 -40.74 98.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.679 179.883 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -64.84 -40.07 94.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 110.196 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.95 -42.88 99.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.988 -1.07 . . . . 0.0 109.528 -179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.35 -40.07 77.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.06 -1.025 . . . . 0.0 108.679 179.315 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 61.0 t80 -59.91 -48.88 79.88 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.49 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -39.97 88.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.846 . . . . 0.0 109.378 179.761 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.03 -40.16 88.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.418 -0.801 . . . . 0.0 109.169 -179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.5 mt-30 -62.15 -40.05 94.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.502 -179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.623 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.4 mmtm -60.0 -39.7 86.68 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -58.99 -45.97 89.32 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -128.76 62.86 1.47 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.573 -0.704 . . . . 0.0 109.178 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.014 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.26 144.74 37.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.88 60.72 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.145 -0.972 . . . . 0.0 109.557 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.12 -39.9 93.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.17 179.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' C' ' 5' ' ' THR . 0.0 OUTLIER -60.46 -41.83 94.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.244 -0.91 . . . . 0.0 109.332 179.56 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.02 -44.73 94.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 108.547 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.98 -39.89 87.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.623 -0.673 . . . . 0.0 109.597 179.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.37 91.05 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.223 -0.923 . . . . 0.0 108.549 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.26 -46.33 64.99 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.93 -46.14 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -1.032 . . . . 0.0 109.409 179.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -45.15 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.152 -0.968 . . . . 0.0 109.114 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.36 -40.03 89.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 109.891 179.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.512 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.7 tp-100 -60.03 -40.46 89.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.925 . . . . 0.0 109.263 -178.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.68 -40.73 93.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.991 -1.068 . . . . 0.0 109.06 179.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.08 -44.06 95.03 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.278 -0.888 . . . . 0.0 108.883 179.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.535 ' NE2' ' OE1' ' A' ' 110' ' ' GLN . 27.6 mt-30 -60.42 -44.7 95.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -0.821 . . . . 0.0 109.657 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -60.01 -43.55 95.17 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.915 . . . . 0.0 109.349 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.434 HD11 HD23 ' C' ' 104' ' ' LEU . 63.4 tp -59.99 -42.31 93.95 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 108.981 179.382 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 57.2 t0 -60.05 -47.18 86.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.389 -0.819 . . . . 0.0 110.107 -179.632 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.98 -40.06 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -41.33 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 -179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.52 -40.02 93.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.57 -0.706 . . . . 0.0 109.231 179.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.3 91.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 108.856 179.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.46 -40.0 89.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.008 . . . . 0.0 109.558 179.623 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.04 -48.59 81.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 109.026 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.71 -44.4 97.01 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 109.206 179.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.35 -40.61 94.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 109.45 179.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.56 -40.31 91.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 109.414 179.399 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.0 -40.48 89.37 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.248 -0.908 . . . . 0.0 109.408 -179.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.8 mt -62.17 -41.62 98.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.938 . . . . 0.0 109.597 179.673 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -65.19 -39.91 93.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.029 -1.045 . . . . 0.0 109.871 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.18 -40.06 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.217 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -60.02 -45.39 92.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.371 -0.83 . . . . 0.0 110.25 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.33 -46.01 93.5 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 76.0 m -60.07 -49.62 76.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.986 -1.302 . . . . 0.0 109.19 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -61.98 -39.97 94.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.252 -0.905 . . . . 0.0 109.132 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.503 HD21 HD21 ' A' ' 82' ' ' ASN . 50.1 t-20 -60.06 -40.37 89.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.89 . . . . 0.0 109.403 -179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.02 -40.0 87.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.067 -1.021 . . . . 0.0 108.525 179.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.62 -40.3 91.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.449 -0.782 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.8 p -59.97 -41.32 91.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.845 -1.16 . . . . 0.0 108.662 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.55 HH22 ' CG ' ' A' ' 82' ' ' ASN . 53.0 mtt-85 -63.74 -39.89 95.4 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.07 -42.25 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.436 -0.79 . . . . 0.0 109.433 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' C' ' 40' ' ' THR . 60.0 p -59.95 -40.08 87.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.991 -1.068 . . . . 0.0 109.574 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.92 76.25 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.481 -1.387 . . . . 0.0 108.739 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.64 -40.16 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.445 -0.785 . . . . 0.0 110.185 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -40.01 91.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.851 -1.155 . . . . 0.0 109.105 -179.332 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.88 -39.93 91.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.018 -1.051 . . . . 0.0 108.964 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.423 ' OH ' ' OG ' ' A' ' 76' ' ' SER . 49.3 m-85 -69.64 -40.03 76.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.098 -1.001 . . . . 0.0 109.893 179.365 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.499 ' CA ' HD22 ' C' ' 74' ' ' ASN . 79.5 mt -60.04 -40.04 87.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.708 -1.245 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.92 -39.93 91.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.444 -1.41 . . . . 0.0 108.526 178.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.08 -38.12 81.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 109.038 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.36 -39.97 81.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 108.936 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.658 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.829 -1.17 . . . . 0.0 108.064 179.463 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.5 mt -69.83 116.21 9.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.822 -1.174 . . . . 0.0 108.399 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.762 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.0 m-80 -131.99 -62.07 0.86 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.597 -0.689 . . . . 0.0 110.105 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.579 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -156.22 115.54 3.51 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.196 -0.94 . . . . 0.0 110.138 -179.065 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.549 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 75.7 m95 -103.62 129.77 50.95 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.955 179.875 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.453 ' O ' ' CE2' ' C' ' 62' ' ' PHE . . . 69.93 12.92 68.8 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.075 -1.059 . . . . 0.0 110.5 178.648 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.37 25.38 0.24 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.762 -1.434 . . . . 0.0 109.447 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -155.73 73.79 0.85 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.453 ' CE2' ' O ' ' C' ' 59' ' ' GLY . 51.8 m-85 -96.91 10.8 38.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.83 -1.169 . . . . 0.0 109.191 179.64 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' C' ' 63' ' ' ARG . 8.2 mmt-85 -140.33 23.72 2.33 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.479 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -148.53 152.28 36.58 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.4 57.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.098 -1.001 . . . . 0.0 108.735 179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.25 158.14 42.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.609 -0.682 . . . . 0.0 109.534 179.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.57 133.22 47.08 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.241 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.617 ' O ' HG23 ' C' ' 68' ' ' THR . 14.9 t -91.39 115.35 27.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.786 -1.196 . . . . 0.0 109.061 -179.057 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.19 120.03 40.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.762 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 92.9 t -127.84 79.33 73.83 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.436 -0.79 . . . . 0.0 109.081 -179.657 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.56 62.16 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.729 2.286 . . . . 0.0 111.363 179.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' C' ' 73' ' ' PRO . 10.2 t90 -69.98 135.4 87.43 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' C' ' 72' ' ' TRP . 80.3 Cg_exo -39.45 148.51 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 121.364 1.376 . . . . 0.0 110.977 179.603 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.499 HD22 ' CA ' ' C' ' 49' ' ' LEU . 62.7 t30 -131.14 -4.28 3.91 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.353 -0.842 . . . . 0.0 109.316 -179.046 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.03 121.49 7.94 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.753 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -81.99 107.38 14.66 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -85.83 136.14 33.43 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.686 -178.451 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.672 HG23 ' O ' ' C' ' 78' ' ' THR . 14.0 t -91.58 112.93 56.89 Favored Pre-proline 0 N--CA 1.494 1.764 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.461 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -93.96 -46.87 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.03 0 C-N-CA 121.571 1.514 . . . . 0.0 114.994 -178.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -120.5 -46.9 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.225 -0.922 . . . . 0.0 113.284 -176.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.675 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.4 p90 -60.09 -55.53 32.83 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.409 -1.432 . . . . 0.0 112.668 -176.482 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.675 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.8 t-20 -76.66 -33.41 58.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.159 -1.588 . . . . 0.0 110.02 -179.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.9 -46.63 88.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.837 . . . . 0.0 109.297 -179.144 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.76 -40.35 95.14 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.995 -1.065 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.456 HG23 ' O ' ' C' ' 81' ' ' TRP . 80.4 p -69.03 -40.01 78.88 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.99 -1.069 . . . . 0.0 109.668 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -64.62 -39.95 94.61 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.027 -1.046 . . . . 0.0 109.463 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.701 -1.25 . . . . 0.0 108.524 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.9 t90 -60.06 -42.23 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.697 . . . . 0.0 109.293 179.54 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -69.69 -40.07 76.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.053 -1.029 . . . . 0.0 109.157 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.36 -40.06 85.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.283 -0.885 . . . . 0.0 110.256 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.35 -43.44 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.828 -1.17 . . . . 0.0 108.93 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.24 -43.41 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.281 -0.887 . . . . 0.0 109.558 179.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -59.93 -42.53 94.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.273 -0.892 . . . . 0.0 110.573 -178.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.64 -40.0 80.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.878 -1.139 . . . . 0.0 109.908 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.03 -39.98 82.99 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.96 -1.087 . . . . 0.0 109.018 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.55 -47.05 87.9 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.47 -43.49 96.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.206 -0.934 . . . . 0.0 109.413 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.416 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 8.2 t-20 -60.07 -44.43 94.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.548 -179.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.39 -45.69 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 0.0 109.645 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 55.3 p -60.54 -41.75 95.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.577 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.54 77.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.117 -0.989 . . . . 0.0 109.166 179.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.07 -45.84 91.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.391 -0.818 . . . . 0.0 109.45 -179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.434 HD23 HD11 ' C' ' 18' ' ' LEU . 87.5 mt -59.93 -43.41 94.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.149 -0.969 . . . . 0.0 109.097 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.98 -47.16 86.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.262 -0.898 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.56 -41.81 95.32 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.39 -0.819 . . . . 0.0 109.814 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.25 98.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -59.99 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.162 -0.961 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.07 -49.92 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.487 179.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 96.7 mt-30 -67.16 -40.03 86.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -0.876 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.12 -40.32 97.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.33 -40.03 93.17 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.063 -1.023 . . . . 0.0 110.109 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.88 -42.81 98.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.3 ttt -69.3 -40.11 77.89 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.997 -1.064 . . . . 0.0 108.655 179.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.632 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 61.8 t80 -59.91 -48.96 79.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.546 -0.722 . . . . 0.0 109.073 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.15 -39.99 88.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 0.0 109.442 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -40.3 88.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 0.0 109.147 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.54 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.01 -40.11 94.56 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.13 -0.981 . . . . 0.0 109.508 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.4 mmtm -59.99 -39.4 85.61 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -0.933 . . . . 0.0 109.628 179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.16 -46.1 89.27 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -128.9 63.12 1.48 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 109.168 178.754 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.54 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 p . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.077 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.554 HE22 ' NE2' ' C' ' 2' ' ' GLN . 94.3 mm-40 -67.42 144.41 55.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 0.0 109.309 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.26 59.21 5.13 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.012 -1.055 . . . . 0.0 109.515 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.538 HH21 ' CG ' ' A' ' 122' ' ' ASN . 15.2 mtp180 -66.62 -39.99 88.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.542 -0.724 . . . . 0.0 109.662 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.9 -41.69 98.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 -179.913 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -67.83 -40.01 83.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.015 -1.053 . . . . 0.0 108.879 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.04 -39.97 91.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.471 -0.768 . . . . 0.0 109.93 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.11 88.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.939 -1.101 . . . . 0.0 108.551 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.65 -45.02 60.88 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 178.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -49.22 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -1.137 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.99 -44.04 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.941 -1.099 . . . . 0.0 109.069 -179.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -40.07 96.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.834 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.93 -42.44 93.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 109.614 -179.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.42 HE21 ' HG3' ' C' ' 14' ' ' GLN . 93.2 mt-30 -60.66 -42.04 96.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.012 -1.055 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.62 -43.35 97.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 0.0 109.97 179.53 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.96 -40.08 95.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.935 -1.103 . . . . 0.0 109.576 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.01 -41.57 98.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.998 . . . . 0.0 109.166 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.38 -43.5 96.54 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.166 -0.959 . . . . 0.0 108.998 179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 50.8 t0 -60.12 -45.61 92.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.275 -0.891 . . . . 0.0 110.0 -179.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.09 -39.92 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.155 -0.966 . . . . 0.0 109.375 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.03 -40.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.969 . . . . 0.0 109.063 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.4 -40.98 92.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 179.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.7 mpt_? -61.03 -40.5 93.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.365 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.24 -40.17 89.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.862 -1.149 . . . . 0.0 109.591 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.08 -48.83 80.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.77 -41.2 97.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.0 109.618 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HD13 ' B' ' 28' ' ' LEU . 26.7 tp -61.83 -40.2 94.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -0.942 . . . . 0.0 109.375 179.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 HD23 ' C' ' 27' ' ' LEU . 20.3 mt -59.94 -40.42 88.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.39 -0.819 . . . . 0.0 109.406 179.647 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.43 -41.65 94.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.767 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.0 mt -61.0 -40.28 92.94 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -65.17 -39.99 93.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.113 -0.992 . . . . 0.0 109.595 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -40.06 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.97 -42.8 94.93 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.339 -0.851 . . . . 0.0 109.578 -179.599 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.79 89.26 Favored Glycine 0 N--CA 1.486 2.011 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.085 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.6 m -59.99 -50.04 75.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.857 -1.378 . . . . 0.0 109.448 -179.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.04 -40.03 94.34 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.863 . . . . 0.0 109.419 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.92 -40.24 88.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.337 -0.852 . . . . 0.0 109.471 -179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.051 -1.031 . . . . 0.0 109.282 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.31 88.68 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 p -59.98 -40.69 90.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 108.584 179.731 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.568 HH22 ' CG ' ' B' ' 82' ' ' ASN . 34.0 mtt-85 -63.74 -39.98 95.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.02 -40.99 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.483 -0.76 . . . . 0.0 109.548 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.0 p -60.0 -40.25 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.903 -1.123 . . . . 0.0 109.037 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.82 93.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.616 -1.302 . . . . 0.0 108.362 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.38 -40.02 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.643 -0.661 . . . . 0.0 110.612 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.11 88.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.608 -1.308 . . . . 0.0 109.298 -179.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.24 -40.27 95.6 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.842 -1.161 . . . . 0.0 108.621 179.282 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.76 -39.94 84.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.838 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.13 -41.75 93.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.116 -0.99 . . . . 0.0 109.432 179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.4 -40.06 95.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.83 -1.169 . . . . 0.0 109.432 179.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.414 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.73 ' NE2' HD21 ' B' ' 74' ' ' ASN . 33.1 mt-30 -59.89 -39.14 84.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.967 -1.083 . . . . 0.0 109.047 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.42 75.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.716 -1.24 . . . . 0.0 107.857 178.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 60.8 tt0 -59.96 -37.83 80.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.174 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.42 117.29 10.0 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.715 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 26.8 m-80 -133.14 -67.36 0.63 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.375 -0.828 . . . . 0.0 110.093 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -152.81 115.97 4.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.903 . . . . 0.0 109.65 -179.204 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.666 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 88.2 m95 -100.04 123.55 44.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.395 -0.816 . . . . 0.0 110.348 -179.62 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.84 24.04 74.22 Favored Glycine 0 N--CA 1.492 2.388 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.773 178.43 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -78.38 23.37 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.591 -1.535 . . . . 0.0 109.291 -179.566 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.84 113.71 2.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 109.699 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' O ' ' NH2' ' B' ' 63' ' ' ARG . 38.6 m-85 -120.91 12.0 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.393 -0.817 . . . . 0.0 109.086 178.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' C' ' 62' ' ' PHE . 12.7 ttp180 -137.53 22.04 2.93 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 123.101 1.429 . . . . 0.0 107.268 179.116 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.77 152.12 34.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.812 -1.18 . . . . 0.0 108.403 178.671 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.04 60.2 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.3 156.56 42.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 109.476 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -130.62 134.29 46.85 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -89.21 115.24 26.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.724 -1.235 . . . . 0.0 109.794 -179.054 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 69' ' ' THR . 11.0 t -110.85 122.06 46.89 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.665 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.715 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 96.0 t -129.2 82.16 68.89 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.656 -0.653 . . . . 0.0 109.455 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.67 61.7 3.61 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.928 2.419 . . . . 0.0 111.435 179.372 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 14.7 t90 -69.91 134.21 87.9 Favored Pre-proline 0 N--CA 1.488 1.469 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 90.4 Cg_exo -41.16 148.12 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 121.137 1.225 . . . . 0.0 110.604 179.456 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' C' ' 52' ' ' GLN . 2.2 t-20 -131.53 3.95 4.25 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.22 -0.925 . . . . 0.0 109.948 -178.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.25 122.42 7.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 0.0 108.941 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.404 ' HG ' ' HH ' ' C' ' 48' ' ' TYR . 3.6 m -80.64 104.02 10.89 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -82.63 137.04 34.63 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.553 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.44 110.13 49.13 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.575 -0.703 . . . . 0.0 109.435 179.285 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -95.52 -46.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.653 1.569 . . . . 0.0 113.212 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.74 -47.55 2.19 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.541 -0.724 . . . . 0.0 112.729 -177.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.8 p90 -60.85 -57.56 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.437 -1.414 . . . . 0.0 112.397 -176.28 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.6 OUTLIER -80.11 -35.82 36.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.215 -1.553 . . . . 0.0 109.421 -179.225 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.94 -47.99 83.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.073 -1.017 . . . . 0.0 109.655 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -63.82 -40.73 97.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.051 -1.031 . . . . 0.0 109.705 -179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.8 p -66.15 -40.0 90.25 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.035 -1.041 . . . . 0.0 109.297 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -61.41 -40.44 94.42 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.135 -0.978 . . . . 0.0 109.616 -179.662 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.37 89.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.009 -1.057 . . . . 0.0 108.88 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.92 -40.18 94.6 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 179.328 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.9 t90 -59.96 -50.01 75.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.398 -0.814 . . . . 0.0 109.521 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.36 -40.13 89.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 108.86 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -61.07 -41.51 96.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.361 -0.837 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.1 -41.47 92.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.012 -1.055 . . . . 0.0 109.604 -179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.08 -40.32 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.138 -0.976 . . . . 0.0 109.065 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.19 -43.48 98.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.347 -0.846 . . . . 0.0 110.425 -179.651 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.931 -1.106 . . . . 0.0 109.31 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.23 -40.0 78.21 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.142 -0.974 . . . . 0.0 108.898 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.06 -44.42 94.72 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.275 -0.891 . . . . 0.0 109.259 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.91 -39.98 94.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.01 -41.55 95.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.237 -0.914 . . . . 0.0 109.669 -179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.26 -43.77 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.264 -0.898 . . . . 0.0 109.603 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.9 p -60.33 -41.95 94.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.93 75.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.472 -0.768 . . . . 0.0 109.802 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.07 -43.44 95.45 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.267 -0.896 . . . . 0.0 109.724 -179.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.81 -41.71 98.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.111 -0.993 . . . . 0.0 109.427 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.38 -45.46 93.45 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.32 95.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.834 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.8 94.2 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.12 -0.988 . . . . 0.0 109.602 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -61.47 -45.84 92.58 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.125 -0.984 . . . . 0.0 109.244 179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.71 -49.42 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -0.921 . . . . 0.0 109.483 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.21 -39.99 82.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.408 -0.808 . . . . 0.0 110.315 -179.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -60.03 -48.11 83.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.096 -1.003 . . . . 0.0 109.86 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.2 -41.11 96.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.028 -1.045 . . . . 0.0 109.95 -179.327 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.97 -40.51 95.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.064 -1.022 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.74 -43.42 93.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.956 -1.09 . . . . 0.0 110.214 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -68.0 -39.93 83.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.058 -1.026 . . . . 0.0 109.213 179.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.02 -48.15 82.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.512 -0.742 . . . . 0.0 109.196 179.57 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -40.02 93.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.213 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.92 -40.55 93.63 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.563 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' SER . 77.8 mt-30 -60.02 -41.75 92.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.081 -1.012 . . . . 0.0 109.894 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -61.07 -39.99 91.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.031 -1.043 . . . . 0.0 108.681 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.06 -48.89 79.82 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.538 ' CG ' HH21 ' A' ' 4' ' ' ARG . 0.8 OUTLIER -114.58 56.83 0.72 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.705 -0.622 . . . . 0.0 109.546 178.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 m . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.034 -1.041 . . . . 0.0 108.991 179.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.284 0.564 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.548 ' NE2' HE22 ' C' ' 2' ' ' GLN . 94.2 mm-40 -67.49 144.5 55.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.197 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -88.53 59.17 5.03 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 -179.751 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.528 HH21 ' CG ' ' B' ' 122' ' ' ASN . 14.7 mtp180 -66.69 -40.11 88.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.453 -0.779 . . . . 0.0 109.487 179.464 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 5' ' ' THR . 0.0 OUTLIER -61.67 -41.48 97.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 0.0 109.823 -179.864 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -68.03 -39.93 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.031 -1.043 . . . . 0.0 108.865 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.95 -40.02 91.74 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.443 -0.785 . . . . 0.0 110.033 179.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.03 87.92 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.019 -1.051 . . . . 0.0 108.626 -179.374 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.52 -45.36 60.1 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.03 -49.12 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.363 -1.081 . . . . 0.0 109.749 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.95 -44.17 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.005 -1.059 . . . . 0.0 109.114 -179.746 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.11 -39.94 96.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 109.849 179.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.03 -42.59 94.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.494 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.55 -41.99 95.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.991 -1.068 . . . . 0.0 109.178 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.58 -43.49 97.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.233 -0.917 . . . . 0.0 109.93 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.2 95.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.968 -1.083 . . . . 0.0 109.491 -179.591 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.142 -0.974 . . . . 0.0 109.22 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -59.95 -43.84 94.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.117 -0.989 . . . . 0.0 109.036 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.43 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 50.2 t0 -60.03 -45.35 93.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.272 -0.892 . . . . 0.0 109.927 -179.534 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.96 -40.01 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.025 -1.047 . . . . 0.0 109.538 -179.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -40.65 83.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.333 -0.854 . . . . 0.0 109.024 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -60.61 -41.0 93.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.417 -0.802 . . . . 0.0 109.655 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.8 mpt_? -61.03 -40.71 94.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.11 -0.994 . . . . 0.0 109.412 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.16 -40.0 88.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.008 -1.058 . . . . 0.0 109.522 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -60.05 -49.21 78.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.5 -41.18 96.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 109.657 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HD13 ' C' ' 28' ' ' LEU . 26.0 tp -61.75 -40.17 94.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.273 179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 27' ' ' LEU . 19.8 mt -60.16 -40.24 89.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.535 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.42 -41.62 94.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.538 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.2 mt -60.96 -40.25 92.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 109.753 -179.667 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -65.35 -39.95 92.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.81 -40.05 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.281 -0.887 . . . . 0.0 109.081 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.09 -42.58 94.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.717 -179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.6 90.27 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.694 -1.241 . . . . 0.0 110.138 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -59.93 -50.02 75.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.929 -1.336 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.93 -39.94 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.615 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.529 -179.717 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.12 -39.91 87.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 109.319 179.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.13 -40.29 89.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.137 -0.977 . . . . 0.0 109.404 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 34.1 p -60.08 -40.63 90.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.921 -1.112 . . . . 0.0 108.434 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.589 HH22 ' CG ' ' C' ' 82' ' ' ASN . 34.2 mtt-85 -63.6 -40.03 95.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -40.99 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.576 -0.703 . . . . 0.0 109.463 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.7 p -60.05 -40.2 88.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.935 -1.103 . . . . 0.0 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.95 94.03 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.526 -1.359 . . . . 0.0 108.414 178.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.25 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.555 -0.716 . . . . 0.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -40.03 87.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.724 -1.235 . . . . 0.0 109.201 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.16 -40.59 96.48 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.875 -1.141 . . . . 0.0 108.701 179.346 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HG ' ' C' ' 76' ' ' SER . 41.2 m-85 -67.57 -39.96 84.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.74 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.09 -41.93 93.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.989 -1.07 . . . . 0.0 109.409 179.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.27 -40.04 94.93 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.9 -1.125 . . . . 0.0 109.48 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -59.94 -40.0 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.49 179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.733 ' NE2' HD21 ' C' ' 74' ' ' ASN . 33.1 mt-30 -59.91 -39.4 85.28 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 108.971 179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.59 75.27 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 60.7 tt0 -59.93 -37.71 80.28 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.45 117.26 9.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.086 -1.009 . . . . 0.0 108.369 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 27.9 m-80 -133.08 -67.47 0.62 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.308 -0.87 . . . . 0.0 110.038 -179.372 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.666 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -152.74 116.02 4.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.566 -179.2 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.678 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 88.3 m95 -100.03 124.04 44.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.795 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 67.33 24.01 73.48 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.056 -1.069 . . . . 0.0 110.943 178.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -78.22 23.24 0.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.603 -1.528 . . . . 0.0 109.381 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.8 113.66 2.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.985 -1.072 . . . . 0.0 109.63 179.316 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.499 ' O ' ' NH2' ' C' ' 63' ' ' ARG . 38.5 m-85 -120.87 11.73 11.14 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.196 -0.94 . . . . 0.0 109.068 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' B' ' 63' ' ' ARG . 12.8 ttp180 -137.25 22.4 2.99 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.546 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.99 151.91 34.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.87 -1.144 . . . . 0.0 108.493 178.561 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.74 59.83 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.15 -0.969 . . . . 0.0 108.474 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.9 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.462 -0.774 . . . . 0.0 109.534 179.515 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -130.45 134.45 47.11 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.307 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.427 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -89.36 114.98 26.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.639 -1.288 . . . . 0.0 109.793 -179.057 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.57 ' O ' HG23 ' B' ' 69' ' ' THR . 11.3 t -110.79 122.19 47.22 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.684 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.709 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 95.6 t -129.39 82.1 68.59 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.641 -0.662 . . . . 0.0 109.414 -179.44 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -87.68 61.71 3.6 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.946 2.431 . . . . 0.0 111.355 179.389 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 15.3 t90 -69.98 134.18 87.77 Favored Pre-proline 0 N--CA 1.49 1.557 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -41.11 148.34 0.24 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.102 1.201 . . . . 0.0 110.571 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.73 HD21 ' NE2' ' A' ' 52' ' ' GLN . 2.1 t-20 -131.74 3.83 4.17 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.243 -0.91 . . . . 0.0 109.882 -178.598 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.24 122.85 7.36 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.6 m -81.02 104.34 11.45 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -83.24 136.53 34.37 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.594 -178.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -94.83 110.13 47.84 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 179.404 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -95.5 -46.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.67 1.58 . . . . 0.0 113.3 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.96 -47.59 2.16 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.503 -0.748 . . . . 0.0 112.778 -177.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.706 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 8.2 p90 -60.47 -58.22 9.4 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.468 -1.395 . . . . 0.0 112.265 -176.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.706 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.6 OUTLIER -79.59 -35.84 39.01 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.304 -1.497 . . . . 0.0 109.515 -178.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.05 -47.7 84.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.683 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -64.24 -40.68 96.52 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.997 -1.065 . . . . 0.0 109.52 -179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.2 p -65.93 -39.99 91.0 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.053 -1.029 . . . . 0.0 109.364 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -61.75 -40.16 94.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.18 -0.95 . . . . 0.0 109.718 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -41.0 91.22 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.105 -0.997 . . . . 0.0 108.801 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.39 -40.29 93.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.99 . . . . 0.0 109.004 179.357 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.6 t90 -60.07 -49.98 75.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 109.578 179.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.06 -40.15 88.49 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.166 -0.959 . . . . 0.0 108.926 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.35 -41.23 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 0.0 110.095 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.23 -41.55 93.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.018 -1.051 . . . . 0.0 109.718 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.09 -40.24 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.25 -0.906 . . . . 0.0 109.048 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -43.5 98.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.572 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -60.95 -41.98 97.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.916 -1.115 . . . . 0.0 109.428 -179.771 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.92 -40.04 79.3 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.303 -0.873 . . . . 0.0 109.006 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.96 -44.64 94.29 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.27 -0.893 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.97 -39.99 94.3 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.134 -0.979 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -41.61 95.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.14 -0.975 . . . . 0.0 109.727 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.24 -43.48 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.86 . . . . 0.0 109.672 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 45.7 p -60.65 -42.0 96.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.98 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.372 -0.83 . . . . 0.0 109.804 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.96 -43.27 95.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.282 -0.886 . . . . 0.0 109.814 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.97 -41.67 98.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 -179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.52 -45.19 94.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 0.0 109.099 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.64 -40.1 95.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.426 -0.796 . . . . 0.0 109.792 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.47 93.46 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.203 -0.935 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.82 -45.36 94.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.12 -0.988 . . . . 0.0 109.374 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.2 -49.15 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -68.49 -40.01 81.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.883 . . . . 0.0 110.212 -179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.02 -48.42 81.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 109.698 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.82 -41.21 95.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.971 -1.081 . . . . 0.0 110.069 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.25 -40.26 95.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.041 -1.037 . . . . 0.0 110.127 -179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.7 -43.33 93.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.945 -1.097 . . . . 0.0 110.214 -179.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 53.1 ttm -68.31 -40.07 81.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.061 -1.025 . . . . 0.0 109.066 179.6 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.02 -48.31 82.25 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.319 -0.863 . . . . 0.0 109.066 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.21 -40.05 92.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 0.0 109.249 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.0 -40.3 92.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.383 -0.823 . . . . 0.0 109.595 -179.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.01 -41.84 93.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.078 -1.014 . . . . 0.0 109.881 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.098 -1.001 . . . . 0.0 108.702 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.08 -49.02 79.31 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.65 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.528 ' CG ' HH21 ' B' ' 4' ' ' ARG . 0.8 OUTLIER -114.43 56.93 0.71 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.653 -0.655 . . . . 0.0 109.524 178.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.977 -1.077 . . . . 0.0 108.874 179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.554 ' NE2' HE22 ' A' ' 2' ' ' GLN . 94.3 mm-40 -67.7 144.42 55.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.262 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -88.25 59.2 5.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.139 -0.976 . . . . 0.0 109.608 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.539 HH21 ' CG ' ' C' ' 122' ' ' ASN . 15.5 mtp180 -66.96 -39.87 87.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.6 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.414 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.88 -41.5 97.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.295 -0.878 . . . . 0.0 109.814 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.95 -39.99 83.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.946 -1.096 . . . . 0.0 108.868 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.9 -39.98 91.33 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.458 -0.776 . . . . 0.0 110.085 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.05 87.61 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.967 -1.083 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.66 -45.18 60.05 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.81 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.316 -1.108 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.02 -44.14 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.978 -1.076 . . . . 0.0 109.112 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.22 -40.12 96.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.8 179.42 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.99 -42.61 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.114 -0.991 . . . . 0.0 109.586 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.42 ' HG3' HE21 ' A' ' 14' ' ' GLN . 93.2 mt-30 -60.35 -42.51 95.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.954 -1.091 . . . . 0.0 109.185 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.16 -43.53 95.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.394 -0.816 . . . . 0.0 109.988 179.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.94 -40.1 95.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.044 -1.035 . . . . 0.0 109.511 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.91 -41.89 98.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.205 -0.934 . . . . 0.0 109.228 179.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.08 -43.69 95.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.114 179.627 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 50.4 t0 -60.08 -45.46 92.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.338 -0.852 . . . . 0.0 109.918 -179.74 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.0 -39.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.052 -1.03 . . . . 0.0 109.457 -179.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.14 -40.6 83.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.243 -0.911 . . . . 0.0 109.042 -179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -60.52 -40.97 93.39 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.7 mpt_? -61.06 -40.55 94.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.3 -40.1 89.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.968 -1.083 . . . . 0.0 109.54 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.93 -49.09 79.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.086 -1.009 . . . . 0.0 109.88 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.74 95.84 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.137 -0.977 . . . . 0.0 109.673 -179.331 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 28' ' ' LEU . 27.4 tp -62.46 -40.09 95.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.504 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.447 HD13 HD23 ' B' ' 27' ' ' LEU . 19.9 mt -59.95 -40.62 89.6 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.466 179.608 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.06 -41.57 92.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 109.861 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -61.25 -40.12 92.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.215 -0.928 . . . . 0.0 109.775 -179.654 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.43 -39.97 92.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.0 109.51 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.83 -39.97 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.156 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.1 -42.74 95.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.381 -0.825 . . . . 0.0 109.607 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.73 89.58 Favored Glycine 0 N--CA 1.489 2.176 0 C-N-CA 119.749 -1.215 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -49.94 75.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.961 -1.317 . . . . 0.0 109.496 -179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.14 -40.05 94.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.287 -0.883 . . . . 0.0 109.367 179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.95 -39.99 87.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.276 -0.89 . . . . 0.0 109.537 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.16 -39.98 88.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.082 -1.011 . . . . 0.0 109.326 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.12 -40.47 89.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.186 -0.946 . . . . 0.0 109.441 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -60.01 -40.52 89.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.829 -1.169 . . . . 0.0 108.442 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 34.0 mtt-85 -63.66 -40.03 95.83 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.067 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.28 -40.7 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.569 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 73.2 p -60.21 -40.32 89.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.952 -1.093 . . . . 0.0 108.865 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.17 93.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 108.252 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.24 -40.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.611 -0.681 . . . . 0.0 110.595 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -40.04 87.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.715 -1.241 . . . . 0.0 109.321 -179.131 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.36 -40.18 95.58 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.818 -1.176 . . . . 0.0 108.739 179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.404 ' HH ' ' HG ' ' A' ' 76' ' ' SER . 40.7 m-85 -67.63 -39.95 84.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -0.79 . . . . 0.0 109.791 179.361 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.1 mt -60.14 -41.8 93.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.014 -1.054 . . . . 0.0 109.508 179.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.38 -40.16 95.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.872 -1.143 . . . . 0.0 109.436 179.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -59.99 -39.99 87.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.138 -0.976 . . . . 0.0 109.337 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 74' ' ' ASN . 33.2 mt-30 -59.94 -39.21 84.77 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.028 -1.045 . . . . 0.0 109.143 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.41 75.88 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.803 -1.186 . . . . 0.0 107.883 178.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.524 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 60.9 tt0 -59.95 -37.61 80.06 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.41 117.05 9.68 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.655 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.732 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 27.0 m-80 -132.87 -67.36 0.64 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.418 -0.801 . . . . 0.0 110.162 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.678 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -152.68 116.03 4.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.459 -179.175 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.714 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 88.4 m95 -99.99 123.91 44.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 -179.637 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 67.37 23.98 73.53 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.984 178.52 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.98 23.39 0.26 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.68 -1.482 . . . . 0.0 109.333 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.9 113.47 2.75 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 109.591 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.522 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 38.3 m-85 -120.81 11.69 11.19 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.312 -0.867 . . . . 0.0 108.995 178.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' C' ' 63' ' ' ARG . 13.2 ttp180 -137.05 22.26 3.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 122.968 1.366 . . . . 0.0 107.342 178.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.561 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.81 152.31 34.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.797 -1.189 . . . . 0.0 108.436 178.72 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -102.02 59.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.066 -1.021 . . . . 0.0 108.473 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.97 156.36 42.16 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.509 -0.745 . . . . 0.0 109.58 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -130.31 134.54 47.28 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -89.48 115.23 26.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.754 -1.216 . . . . 0.0 109.728 -179.064 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.553 ' O ' HG23 ' C' ' 69' ' ' THR . 10.9 t -110.82 122.44 47.84 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.732 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 93.7 t -129.44 82.16 68.34 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.68 -0.638 . . . . 0.0 109.434 -179.568 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.77 61.72 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.911 2.407 . . . . 0.0 111.467 179.397 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' C' ' 73' ' ' PRO . 14.6 t90 -69.93 134.26 87.85 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.426 -0.796 . . . . 0.0 108.915 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' C' ' 72' ' ' TRP . 90.6 Cg_exo -41.06 148.11 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 121.243 1.295 . . . . 0.0 110.516 179.42 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.733 HD21 ' NE2' ' B' ' 52' ' ' GLN . 2.2 t-20 -131.56 3.9 4.23 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.202 -0.936 . . . . 0.0 109.926 -178.619 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.37 122.3 7.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.448 -0.782 . . . . 0.0 108.962 -179.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . 0.45 ' HG ' ' HH ' ' B' ' 48' ' ' TYR . 3.5 m -80.51 104.13 10.83 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.1 mt -82.75 136.8 34.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 -178.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.46 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -94.98 110.15 48.29 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.606 -0.684 . . . . 0.0 109.574 179.269 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -95.48 -46.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 121.598 1.532 . . . . 0.0 113.335 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -121.81 -48.06 2.16 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.472 -0.768 . . . . 0.0 112.594 -178.047 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.699 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 7.3 p90 -59.95 -57.98 10.54 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.393 -1.442 . . . . 0.0 112.47 -176.47 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.699 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.6 OUTLIER -79.99 -35.96 36.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.23 -1.544 . . . . 0.0 109.547 -179.082 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.094 -1.004 . . . . 0.0 109.661 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.85 -40.91 97.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.026 -1.046 . . . . 0.0 109.693 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.3 p -65.88 -39.91 91.1 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.7 -40.45 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.137 -0.977 . . . . 0.0 109.493 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.01 -40.47 89.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.006 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.78 -40.21 94.36 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.218 -0.926 . . . . 0.0 109.083 179.25 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -59.97 -50.06 75.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.551 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.1 -40.24 88.95 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.052 -1.03 . . . . 0.0 108.854 179.365 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -61.09 -41.45 96.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.398 -0.814 . . . . 0.0 110.146 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.24 -41.32 92.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.925 -1.11 . . . . 0.0 109.667 -179.469 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.17 -40.34 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.169 -0.957 . . . . 0.0 108.917 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.31 -43.37 98.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.833 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -61.25 -41.72 97.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.98 -1.075 . . . . 0.0 109.296 -179.74 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.13 -40.07 78.51 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.245 -0.91 . . . . 0.0 108.969 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.99 -44.49 94.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.297 -0.877 . . . . 0.0 109.333 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.87 -40.0 94.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.97 -43.8 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.905 . . . . 0.0 109.499 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 46.9 p -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.981 . . . . 0.0 109.593 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.98 75.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.779 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.03 -43.37 95.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.33 -0.856 . . . . 0.0 109.727 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.69 -41.81 98.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.37 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.44 -45.36 93.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.0 109.186 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.38 -40.37 96.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 109.817 179.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.64 94.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.166 -0.959 . . . . 0.0 109.733 -179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -61.7 -45.71 92.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.145 -0.972 . . . . 0.0 109.213 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.79 -49.3 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.632 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -68.45 -39.99 81.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -179.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -60.02 -48.38 81.95 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.601 -179.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.74 -41.24 94.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.068 -1.02 . . . . 0.0 109.974 -179.523 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.17 -40.28 95.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 110.322 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.75 -43.6 92.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 53.6 ttm -67.93 -40.03 83.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.199 -0.938 . . . . 0.0 109.161 179.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -60.0 -47.97 83.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 0.0 109.204 179.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.49 -39.94 92.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.292 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.18 -40.32 93.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.432 -0.793 . . . . 0.0 109.548 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -60.07 -42.57 94.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.976 -1.078 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.956 -1.09 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.04 -48.89 79.82 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.539 ' CG ' HH21 ' C' ' 4' ' ' ARG . 0.8 OUTLIER -114.64 56.52 0.73 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.654 -0.653 . . . . 0.0 109.536 179.141 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.49 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 m . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.017 -1.052 . . . . 0.0 109.069 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.368 0.604 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.88 143.9 50.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.156 -0.965 . . . . 0.0 109.378 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -88.82 59.64 5.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.974 -1.079 . . . . 0.0 109.344 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' NH1' ' O ' ' A' ' 122' ' ' ASN . 31.4 ttp180 -62.04 -40.04 94.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.283 -0.886 . . . . 0.0 109.212 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.6 t -60.14 -44.67 94.76 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.388 -0.82 . . . . 0.0 109.847 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 5' ' ' THR . 60.9 tp -60.22 -45.69 92.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.831 -1.168 . . . . 0.0 108.414 179.442 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.07 -39.48 86.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.592 -0.693 . . . . 0.0 109.466 179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.03 -1.044 . . . . 0.0 108.666 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.64 -46.55 61.23 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.95 -47.89 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.33 -1.1 . . . . 0.0 109.147 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.08 -41.7 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.138 -0.976 . . . . 0.0 108.817 179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.15 -40.78 91.04 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.7 tp-100 -60.04 -41.15 91.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.594 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -60.28 -42.24 95.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.357 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.82 -42.13 97.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.146 -0.972 . . . . 0.0 109.287 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.3 mt-30 -62.62 -42.3 99.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.588 179.429 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.75 -40.56 97.61 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.278 -0.889 . . . . 0.0 108.955 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.99 -45.97 91.0 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.436 -0.79 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -59.9 -47.3 86.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.178 -0.951 . . . . 0.0 110.155 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.05 -41.46 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.002 -1.061 . . . . 0.0 108.843 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.97 -41.52 86.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.159 -0.963 . . . . 0.0 108.658 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.97 -41.06 99.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.526 -0.734 . . . . 0.0 109.457 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.1 mtt-85 -60.95 -40.18 92.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.839 179.713 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.36 -40.49 90.93 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.547 -0.861 . . . . 0.0 109.114 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.02 -49.57 77.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.275 -0.891 . . . . 0.0 108.699 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.117 -0.989 . . . . 0.0 109.438 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.263 -0.898 . . . . 0.0 109.433 179.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.45 -40.22 90.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.0 108.921 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.82 -40.45 95.33 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.356 -0.84 . . . . 0.0 109.696 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -62.62 -40.21 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.102 -0.999 . . . . 0.0 109.654 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.8 p -65.36 -40.1 93.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.219 -0.926 . . . . 0.0 109.727 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -40.45 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.835 . . . . 0.0 109.281 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.93 -45.22 93.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.461 -0.774 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -48.75 84.51 Favored Glycine 0 N--CA 1.489 2.198 0 C-N-CA 119.669 -1.253 . . . . 0.0 109.998 -179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.4 m -60.32 -50.03 75.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.246 . . . . 0.0 110.323 -179.19 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.4 -40.03 92.88 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.203 -0.935 . . . . 0.0 109.751 -179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' A' ' 41' ' ' ARG . 48.8 t-20 -60.1 -40.18 88.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.471 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.1 -39.85 91.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.854 . . . . 0.0 109.73 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.93 -42.32 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.115 -0.991 . . . . 0.0 109.532 -178.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.7 p -60.37 -40.06 89.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.891 -1.131 . . . . 0.0 108.644 179.466 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -66.37 -39.75 89.3 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.793 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.76 -42.44 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.326 -0.859 . . . . 0.0 108.948 179.233 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.4 p -60.13 -39.95 88.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 109.162 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.59 92.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.049 -1.032 . . . . 0.0 108.937 179.445 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.22 -38.81 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.482 -0.761 . . . . 0.0 109.338 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 109.022 -178.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.82 -44.23 97.17 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.39 -0.819 . . . . 0.0 109.294 179.444 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 51.0 m-85 -65.76 -39.84 91.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.0 110.086 -179.384 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.803 -1.186 . . . . 0.0 109.185 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -60.3 -40.1 89.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.762 -1.211 . . . . 0.0 108.975 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.95 -39.57 86.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.991 . . . . 0.0 108.947 179.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.732 HE22 HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -40.01 84.51 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.026 -1.046 . . . . 0.0 109.005 179.877 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.57 -34.26 72.47 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.998 -1.064 . . . . 0.0 108.717 179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.93 -40.06 87.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 108.746 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.5 mt -74.56 113.71 12.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 108.625 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 35.6 m120 -133.47 -71.05 0.52 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.423 -0.798 . . . . 0.0 109.44 179.862 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 88.74 1.67 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.342 -0.848 . . . . 0.0 108.811 179.599 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' C ' ' H ' ' A' ' 60' ' ' ALA . 58.8 m95 -102.19 150.42 23.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.6 -0.687 . . . . 0.0 111.05 -178.891 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.47 9.4 1.06 Allowed Glycine 0 N--CA 1.489 2.172 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 178.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.07 23.53 0.06 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.336 -1.097 . . . . 0.0 109.05 -179.78 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.16 112.1 2.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.191 -0.943 . . . . 0.0 109.897 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.39 12.55 29.64 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.415 -0.803 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 31.7 mmt180 -120.92 22.62 11.01 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 178.02 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.28 151.93 35.04 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 179.131 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.57 60.85 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.003 -1.061 . . . . 0.0 109.184 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.71 43.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 109.556 179.333 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.29 133.37 50.15 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.056 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -98.34 119.2 36.6 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.938 0.875 . . . . 0.0 111.224 -178.028 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.83 120.37 39.79 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 61.1 t -125.05 84.5 59.08 Favored Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.499 -0.75 . . . . 0.0 109.316 -179.436 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -81.86 64.51 8.5 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.434 2.09 . . . . 0.0 112.073 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 26.8 t90 -69.79 130.69 89.96 Favored Pre-proline 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.788 . . . . 0.0 108.935 179.699 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -40.85 147.93 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.182 1.255 . . . . 0.0 111.627 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.705 HD21 HE22 ' C' ' 52' ' ' GLN . 12.9 t-20 -128.71 -48.08 1.26 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.21 124.62 34.54 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.103 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -82.72 109.98 17.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.879 -1.138 . . . . 0.0 108.225 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.36 136.14 35.05 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.48 0.657 . . . . 0.0 109.74 -178.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 78' ' ' THR . 6.6 t -88.53 115.27 62.88 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -90.99 -48.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.577 1.518 . . . . 0.0 114.383 -179.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.78 -43.5 2.36 Favored 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -177.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.06 -50.72 72.61 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.279 -1.513 . . . . 0.0 112.599 -175.821 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.633 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 66.4 t30 -72.4 -41.22 66.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.114 -1.616 . . . . 0.0 110.532 -179.02 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.13 -47.78 84.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.058 -1.026 . . . . 0.0 110.7 -178.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.01 -41.25 91.25 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.792 -1.193 . . . . 0.0 109.895 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' TRP . 70.4 p -70.78 -39.89 72.92 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.138 -0.976 . . . . 0.0 110.108 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -68.73 -39.82 80.2 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.183 -0.948 . . . . 0.0 109.056 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.88 -41.38 91.45 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.712 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.28 -40.16 96.6 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.795 178.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.528 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.2 t90 -60.05 -49.97 75.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.448 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.27 -41.19 97.03 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.192 -0.942 . . . . 0.0 109.565 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -65.06 -40.16 94.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.057 -1.027 . . . . 0.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -61.07 -41.82 97.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.761 -1.212 . . . . 0.0 108.818 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.23 -41.44 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.469 -0.769 . . . . 0.0 109.452 179.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.9 -40.06 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 110.672 -178.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.94 -39.99 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.57 -1.331 . . . . 0.0 109.613 -179.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.36 -40.97 81.31 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.046 -1.033 . . . . 0.0 108.798 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -60.44 -47.95 83.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.21 -0.932 . . . . 0.0 109.802 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.9 -40.76 98.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 109.904 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.86 -40.04 95.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.358 -0.839 . . . . 0.0 109.59 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.57 -40.73 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.7 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -62.82 -42.46 99.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.936 -1.102 . . . . 0.0 110.061 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.59 90.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.63 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 103' ' ' LEU . 88.9 mt -61.88 -42.39 99.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 0.0 109.556 -179.725 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.43 -42.27 99.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.172 -0.955 . . . . 0.0 108.994 179.755 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.99 -50.15 74.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -0.819 . . . . 0.0 109.074 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -60.47 -40.3 90.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.279 179.696 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.58 96.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.364 -0.835 . . . . 0.0 109.591 -179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.18 -48.16 82.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.05 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.27 -49.57 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.434 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.61 -40.22 95.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.384 -0.822 . . . . 0.0 110.217 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.164 -0.96 . . . . 0.0 109.967 -179.375 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.37 -41.14 98.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.114 -0.991 . . . . 0.0 109.394 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -63.61 -42.63 98.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.322 -0.861 . . . . 0.0 109.312 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.39 -44.28 95.81 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.074 -1.016 . . . . 0.0 109.068 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.3 -40.53 90.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.293 -0.879 . . . . 0.0 109.028 179.636 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.04 -47.57 85.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.448 -0.782 . . . . 0.0 108.969 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.94 87.99 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -59.84 -41.63 91.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.436 -0.79 . . . . 0.0 109.102 -179.54 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.445 ' C ' ' HG ' ' A' ' 123' ' ' SER . 97.3 mt-30 -65.31 -40.08 93.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 0.0 109.752 179.731 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.92 -33.96 72.59 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.416 -0.803 . . . . 0.0 110.011 -179.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.6 -47.83 78.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.736 -1.227 . . . . 0.0 108.548 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' O ' ' NH1' ' A' ' 4' ' ' ARG . 16.6 t-20 -142.06 68.45 1.32 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.163 -0.961 . . . . 0.0 109.612 179.365 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.445 ' HG ' ' C ' ' A' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.859 -1.067 . . . . 0.0 108.97 179.627 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.348 0.594 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.76 144.28 50.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.063 -1.023 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -89.52 60.12 5.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.118 -0.989 . . . . 0.0 109.005 179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' B' ' 122' ' ' ASN . 31.6 ttp180 -62.23 -40.16 95.21 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.412 -0.805 . . . . 0.0 109.025 179.89 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.502 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.8 t -60.01 -45.16 93.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.309 -0.869 . . . . 0.0 109.593 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.502 ' N ' HG23 ' B' ' 5' ' ' THR . 59.5 tp -59.84 -45.28 92.92 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.907 -1.12 . . . . 0.0 108.733 179.475 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.46 -39.08 86.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.561 -0.712 . . . . 0.0 109.582 179.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.43 87.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.081 -1.012 . . . . 0.0 108.741 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.76 -46.22 61.84 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.04 -47.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.429 -1.042 . . . . 0.0 109.184 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.45 -41.82 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.19 -40.25 89.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.389 -0.819 . . . . 0.0 109.801 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.8 tp-100 -60.69 -40.53 92.5 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.433 -0.792 . . . . 0.0 109.544 -179.609 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.77 -41.93 96.48 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.09 -42.0 97.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.073 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.2 mt-30 -63.01 -41.82 99.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.283 -0.886 . . . . 0.0 109.456 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.06 -40.28 97.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.034 179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.18 -46.05 91.03 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.428 -0.795 . . . . 0.0 109.374 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.05 -47.13 87.12 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.1 -41.12 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.943 -1.098 . . . . 0.0 109.028 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.22 -41.6 87.41 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.315 -0.865 . . . . 0.0 108.738 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -62.85 -41.49 99.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.469 -0.769 . . . . 0.0 109.246 179.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.469 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.6 mtt-85 -60.76 -40.29 91.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.195 -0.94 . . . . 0.0 109.664 -179.777 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.28 -40.2 89.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.236 -0.915 . . . . 0.0 109.211 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.21 -49.43 77.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 0.0 108.902 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.41 -44.48 97.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.188 -0.945 . . . . 0.0 109.64 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.3 -40.59 96.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.297 179.748 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.11 -40.26 89.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.221 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.46 -40.55 94.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.427 -0.796 . . . . 0.0 109.634 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.562 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.7 mt -62.76 -40.15 96.37 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.4 p -65.53 -39.99 92.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.132 -0.98 . . . . 0.0 109.668 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.93 -40.43 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 109.101 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.01 -45.18 93.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.393 -0.817 . . . . 0.0 110.649 -179.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.38 86.39 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.66 -1.257 . . . . 0.0 109.996 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -60.4 -49.91 75.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.893 -1.357 . . . . 0.0 110.223 -179.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -61.68 -39.91 93.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.415 HD21 HH21 ' B' ' 41' ' ' ARG . 48.5 t-20 -60.17 -40.28 89.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -0.991 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.59 -40.17 90.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.172 -0.955 . . . . 0.0 109.813 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -42.32 93.3 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.108 -0.995 . . . . 0.0 109.62 -178.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' B' ' 43' ' ' THR . 49.9 p -60.54 -40.17 90.55 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.76 -1.213 . . . . 0.0 108.685 179.602 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 50.6 mtt-85 -66.12 -39.8 90.18 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -42.11 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 108.929 179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.5 p -60.14 -40.11 88.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.271 179.312 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.93 93.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.78 -39.1 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 0.0 109.428 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.9 -40.2 87.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.174 -0.953 . . . . 0.0 109.057 -178.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -60.79 -44.76 96.4 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.411 -0.806 . . . . 0.0 109.316 179.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 51.1 m-85 -65.52 -39.98 92.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 0.0 110.065 -179.508 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.9 -40.09 87.6 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.823 -1.173 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -59.82 -40.24 87.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.716 -1.24 . . . . 0.0 108.799 178.824 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.04 -39.56 86.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.251 -0.906 . . . . 0.0 108.943 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.773 HE22 HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.33 -39.91 84.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.975 -1.078 . . . . 0.0 108.764 -179.872 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 72' ' ' TRP . . . -59.31 -34.84 72.81 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.954 -1.091 . . . . 0.0 108.974 179.314 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.87 -39.95 87.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.968 . . . . 0.0 108.744 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.79 113.27 11.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.855 -1.153 . . . . 0.0 108.856 179.171 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.4 m120 -133.15 -71.0 0.52 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.97 88.82 1.69 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.676 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' B' ' 60' ' ' ALA . 58.5 m95 -102.38 150.82 22.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.581 -0.7 . . . . 0.0 110.929 -179.128 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.58 8.87 0.95 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 178.724 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.85 23.29 0.06 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.133 -1.216 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.97 112.03 2.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 0.0 109.982 179.347 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -106.11 12.81 29.86 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.348 -0.845 . . . . 0.0 109.831 178.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 31.6 mmt180 -121.12 22.9 10.81 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.11 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.52 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.68 151.71 34.15 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.168 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.64 60.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.136 -0.978 . . . . 0.0 109.434 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.8 157.98 43.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.437 -0.789 . . . . 0.0 109.557 179.394 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -127.63 133.25 49.67 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.5 t -98.2 119.25 36.53 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.161 -0.962 . . . . 0.0 110.875 -177.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.51 120.39 40.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.137 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 60.5 t -124.97 84.11 59.29 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.201 -0.937 . . . . 0.0 109.275 -179.276 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.58 64.58 8.64 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.405 2.07 . . . . 0.0 112.014 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' CB ' ' B' ' 53' ' ' ALA . 25.0 t90 -69.8 130.04 90.56 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.688 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -40.67 148.03 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.274 1.316 . . . . 0.0 111.547 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.732 HD21 HE22 ' A' ' 52' ' ' GLN . 13.1 t-20 -128.85 -47.99 1.24 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.838 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.63 34.48 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.135 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 42.5 t -82.57 109.56 16.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.769 -1.207 . . . . 0.0 108.269 -179.273 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 45.5 mt -81.98 136.21 35.3 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 109.695 -178.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.564 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -88.42 115.19 62.59 Favored Pre-proline 0 N--CA 1.494 1.767 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -90.97 -48.12 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.082 0 C-N-CA 121.594 1.53 . . . . 0.0 114.266 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -122.05 -44.04 2.31 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.073 -1.017 . . . . 0.0 113.4 -177.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.73 -50.2 74.77 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.195 -1.566 . . . . 0.0 112.759 -175.467 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 66.2 t30 -72.52 -40.89 66.43 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.164 -1.585 . . . . 0.0 110.613 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.21 -47.71 84.8 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.978 -1.076 . . . . 0.0 110.694 -178.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.09 -41.3 90.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.705 -1.247 . . . . 0.0 109.902 -179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 81' ' ' TRP . 69.1 p -70.6 -40.08 73.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.111 -0.993 . . . . 0.0 109.94 179.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -68.77 -39.78 80.04 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.1 -1.0 . . . . 0.0 109.06 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.1 -41.19 92.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.804 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.34 -40.12 96.43 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.836 -1.165 . . . . 0.0 108.622 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.5 t90 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.446 -0.784 . . . . 0.0 109.623 179.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.26 -41.34 96.98 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 -179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.65 -40.37 95.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.099 -1.001 . . . . 0.0 110.526 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.694 -1.254 . . . . 0.0 108.697 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.91 -40.84 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.332 -0.855 . . . . 0.0 109.685 179.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -61.4 -40.18 93.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.719 -178.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -69.87 -40.1 75.94 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.72 -1.238 . . . . 0.0 109.726 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.91 -40.92 83.34 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.58 -48.32 82.29 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.88 -40.4 97.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.023 -179.343 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.91 -40.03 95.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.637 -179.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.31 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.327 -0.858 . . . . 0.0 109.698 179.688 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.2 p -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.879 -1.138 . . . . 0.0 110.146 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.5 90.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.126 -0.984 . . . . 0.0 109.631 -179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.431 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.7 mt -61.73 -42.73 99.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.039 -1.038 . . . . 0.0 109.592 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -42.27 99.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.29 -0.881 . . . . 0.0 108.858 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.04 -50.06 75.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 106' ' ' GLU . 0.4 OUTLIER -60.56 -40.07 90.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.147 -0.971 . . . . 0.0 109.055 179.633 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.54 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.0 109.735 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.96 -48.18 82.74 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.133 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -49.43 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.429 -0.795 . . . . 0.0 109.144 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -65.11 -40.05 93.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.598 -0.689 . . . . 0.0 110.109 -179.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.97 -49.82 76.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.453 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.35 -40.86 98.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.053 -1.029 . . . . 0.0 109.313 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -63.9 -42.65 97.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.443 -0.786 . . . . 0.0 109.342 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.37 -43.94 96.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.155 -0.965 . . . . 0.0 109.069 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.8 -40.42 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.349 -0.844 . . . . 0.0 109.003 179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.23 -47.26 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.147 179.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.09 -41.37 92.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.156 -179.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.449 ' O ' ' OG ' ' B' ' 123' ' ' SER . 97.3 mt-30 -65.49 -40.01 92.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 179.631 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.12 -33.68 72.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -0.841 . . . . 0.0 109.985 -179.543 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.87 -47.97 79.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.83 -1.169 . . . . 0.0 108.513 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.495 ' O ' ' NH1' ' B' ' 4' ' ' ARG . 17.1 t-20 -141.75 68.32 1.33 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.162 -0.961 . . . . 0.0 109.559 179.237 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 119' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.249 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.12 143.96 50.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 109.292 -179.619 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -89.16 60.12 5.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.89 -1.131 . . . . 0.0 109.198 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.489 ' NH1' ' O ' ' C' ' 122' ' ' ASN . 31.3 ttp180 -61.91 -40.0 93.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.224 -0.922 . . . . 0.0 109.149 179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.2 t -60.33 -44.96 95.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -0.811 . . . . 0.0 109.731 -179.728 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 60.8 tp -60.03 -45.32 93.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.049 . . . . 0.0 108.662 179.484 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.51 -39.26 87.13 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 109.536 179.089 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.32 86.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.111 -0.993 . . . . 0.0 108.727 -179.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.91 -46.4 59.98 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -47.87 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.23 -1.159 . . . . 0.0 109.139 179.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.14 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.085 -1.009 . . . . 0.0 108.646 179.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.89 -40.81 89.99 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.417 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.8 tp-100 -60.02 -41.31 91.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.138 -0.976 . . . . 0.0 109.505 -179.644 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.12 -42.0 93.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.251 -0.906 . . . . 0.0 109.716 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -61.15 -41.61 97.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.947 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.2 mt-30 -62.87 -42.15 99.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.244 -0.91 . . . . 0.0 109.429 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.98 -40.4 97.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.14 179.294 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.07 -46.05 90.87 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.587 -0.696 . . . . 0.0 109.242 179.446 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -60.0 -47.05 87.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.046 -1.034 . . . . 0.0 110.22 -179.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.18 -41.04 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 108.792 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.76 88.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -62.88 -41.18 99.32 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.333 -0.854 . . . . 0.0 109.441 179.261 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' C' ' 23' ' ' ARG . 52.8 mtt-85 -61.03 -40.23 92.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.648 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.1 -40.08 88.41 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.072 -1.017 . . . . 0.0 109.148 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.11 -49.37 77.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.296 -0.877 . . . . 0.0 108.951 179.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.79 -44.46 96.82 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 0.0 109.484 179.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.94 -40.58 96.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 109.373 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.41 -40.25 90.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.328 -0.858 . . . . 0.0 109.235 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.67 -40.62 95.61 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.373 -0.829 . . . . 0.0 109.776 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.528 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.3 mt -62.56 -40.06 95.65 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.239 -0.913 . . . . 0.0 109.715 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -65.45 -40.04 92.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.247 -0.908 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.172 -0.955 . . . . 0.0 109.095 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -60.08 -45.43 92.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.538 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.36 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.072 -179.455 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.1 m -60.56 -50.03 75.17 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.929 -1.336 . . . . 0.0 110.261 -179.498 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -61.54 -40.04 93.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.622 -179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HH21 ' C' ' 41' ' ' ARG . 49.0 t-20 -60.08 -40.91 91.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.141 -0.974 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.05 -40.14 88.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.131 -0.981 . . . . 0.0 109.929 179.275 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.85 -42.32 93.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.967 -1.083 . . . . 0.0 109.58 -178.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -60.34 -40.23 89.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.942 -1.099 . . . . 0.0 108.554 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 49.9 mtt-85 -66.53 -39.35 88.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -42.39 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 0.0 108.877 179.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.6 p -59.94 -40.1 87.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.892 -1.13 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.87 93.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.049 -1.032 . . . . 0.0 108.627 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.73 -39.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.389 -0.82 . . . . 0.0 109.5 178.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.05 -40.29 88.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.212 -0.93 . . . . 0.0 109.075 -178.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.14 -44.28 97.57 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.363 -0.836 . . . . 0.0 109.178 179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 50.3 m-85 -65.47 -39.91 92.54 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.137 -0.977 . . . . 0.0 110.243 -179.446 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.86 -40.15 87.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.868 -1.145 . . . . 0.0 109.226 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.13 -40.15 88.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.838 -1.164 . . . . 0.0 108.868 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.83 -39.67 85.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 0.0 108.921 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.705 HE22 HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -58.98 -40.0 83.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.092 -1.005 . . . . 0.0 109.023 -179.918 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -59.65 -34.52 72.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.798 -1.189 . . . . 0.0 108.75 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -59.72 -39.98 86.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 108.781 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.71 113.44 11.99 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 108.493 179.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.2 m120 -133.19 -71.41 0.52 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.387 -0.821 . . . . 0.0 109.478 179.784 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.86 88.81 1.7 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.314 -0.867 . . . . 0.0 108.669 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' C' ' 60' ' ' ALA . 58.0 m95 -102.16 150.69 23.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.625 -0.672 . . . . 0.0 111.051 -178.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.33 9.82 1.11 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 178.902 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.483 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -73.44 23.57 0.07 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.206 -1.173 . . . . 0.0 108.924 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.3 112.09 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.024 -1.047 . . . . 0.0 109.957 179.555 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.35 12.69 29.57 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.273 -0.892 . . . . 0.0 109.691 179.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.514 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 31.6 mmt180 -121.0 22.58 10.99 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 178.095 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.46 151.62 34.28 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.57 60.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.098 -1.001 . . . . 0.0 109.464 -179.695 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.12 157.61 42.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.505 -0.747 . . . . 0.0 109.636 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -127.02 133.49 50.52 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.05 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -98.58 119.07 36.68 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-O 121.955 0.883 . . . . 0.0 111.003 -178.058 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.65 120.41 40.03 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.429 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 59.0 t -125.23 84.42 59.59 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.342 -0.848 . . . . 0.0 109.317 -179.474 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -81.61 64.56 8.63 Favored 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.409 ' O ' ' CB ' ' C' ' 53' ' ' ALA . 26.7 t90 -69.81 130.41 90.19 Favored Pre-proline 0 N--CA 1.489 1.491 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.79 148.11 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.246 1.297 . . . . 0.0 111.629 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.773 HD21 HE22 ' B' ' 52' ' ' GLN . 13.3 t-20 -128.91 -47.63 1.24 Allowed 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.797 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.18 124.52 34.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.66 109.27 16.69 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.879 -1.138 . . . . 0.0 108.266 -179.303 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -81.85 136.48 35.37 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.48 0.657 . . . . 0.0 109.72 -178.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -88.76 115.28 63.02 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.566 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -91.16 -48.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.618 1.545 . . . . 0.0 114.154 -179.33 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.63 -43.62 2.37 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.165 -0.959 . . . . 0.0 113.483 -177.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.96 -50.58 73.2 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.25 -1.531 . . . . 0.0 112.99 -175.436 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.9 t30 -72.3 -41.11 66.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.289 -1.507 . . . . 0.0 110.503 -179.292 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.93 -47.77 84.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.786 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.2 -41.61 89.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.692 -1.255 . . . . 0.0 109.672 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.422 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -70.5 -40.16 73.72 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.009 -1.057 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -68.59 -39.81 80.77 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.158 -0.964 . . . . 0.0 109.181 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.04 -41.43 92.24 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.919 -1.113 . . . . 0.0 108.639 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.13 -40.28 97.13 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.754 -1.216 . . . . 0.0 108.754 179.094 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.562 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.6 t90 -59.99 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.506 -0.746 . . . . 0.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.6 -41.48 98.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.954 . . . . 0.0 109.673 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.85 -40.06 94.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 110.517 -179.638 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.32 -41.66 97.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.761 -1.212 . . . . 0.0 108.685 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.18 -41.5 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.255 -0.903 . . . . 0.0 109.658 179.246 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.81 -40.33 92.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.855 . . . . 0.0 110.889 -178.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.8 -39.98 76.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.728 -1.232 . . . . 0.0 109.679 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -68.08 -40.85 82.6 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.155 -0.966 . . . . 0.0 108.829 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.46 -48.7 80.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.328 -0.857 . . . . 0.0 109.661 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.49 -40.75 97.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.387 -0.821 . . . . 0.0 109.863 -179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.55 -40.43 96.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 0.0 109.684 -179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.9 -41.19 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.389 -0.819 . . . . 0.0 109.92 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.8 p -62.81 -42.72 99.84 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.97 -1.081 . . . . 0.0 109.895 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.469 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.6 mt -61.62 -42.22 98.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.764 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.41 -42.42 99.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.946 . . . . 0.0 108.851 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.23 -49.91 75.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.436 -0.79 . . . . 0.0 109.092 179.816 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' C' ' 106' ' ' GLU . 0.4 OUTLIER -60.52 -40.12 90.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.222 179.342 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.59 96.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.217 -0.927 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -48.06 83.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.04 -1.037 . . . . 0.0 109.164 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.23 -49.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 O-C-N 121.35 -0.844 . . . . 0.0 109.169 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -64.96 -40.24 94.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.521 -0.737 . . . . 0.0 110.207 -179.353 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.15 -49.85 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.822 -179.337 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.1 -40.63 98.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.008 -1.057 . . . . 0.0 109.483 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.28 -42.0 96.63 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.341 -0.849 . . . . 0.0 109.426 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.0 -43.94 98.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.137 -0.977 . . . . 0.0 109.042 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -66.61 -40.74 88.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.828 179.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.91 -47.13 87.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.451 -0.781 . . . . 0.0 109.148 179.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -39.96 88.08 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.303 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.21 -41.35 92.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' C' ' 123' ' ' SER . 97.2 mt-30 -65.89 -39.88 91.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.121 -0.987 . . . . 0.0 109.726 179.755 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.01 -33.2 71.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.138 -179.624 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.8 mt -57.11 -47.73 80.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.718 -1.239 . . . . 0.0 108.39 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.489 ' O ' ' NH1' ' C' ' 4' ' ' ARG . 16.9 t-20 -141.97 68.34 1.32 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.169 -0.957 . . . . 0.0 109.655 179.221 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' C' ' 119' ' ' GLN . 1.6 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.175 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.334 0.587 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' C' ' 1' ' ' ALA . 27.0 mt-30 -70.98 143.99 50.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.877 . . . . 0.0 109.367 179.845 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -88.36 58.89 4.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -64.1 -40.0 95.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.418 -0.801 . . . . 0.0 109.276 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.8 t -60.62 -42.62 97.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 179.614 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 59.0 tp -60.11 -43.43 95.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.229 -0.92 . . . . 0.0 108.937 -179.813 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.68 -39.99 90.47 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.338 -0.851 . . . . 0.0 109.701 179.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.97 91.03 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.14 -0.975 . . . . 0.0 108.542 -179.555 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.66 -46.68 73.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 178.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.95 -48.16 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.458 -1.025 . . . . 0.0 109.771 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.98 -44.63 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.122 -0.986 . . . . 0.0 109.163 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.32 -39.97 92.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.763 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.1 -40.73 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.191 -0.943 . . . . 0.0 109.266 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.06 -40.98 91.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.01 -1.056 . . . . 0.0 108.762 179.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -41.82 98.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.444 -0.785 . . . . 0.0 109.41 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.69 -40.59 97.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.14 -0.975 . . . . 0.0 109.324 -179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.29 -40.48 96.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.207 -0.933 . . . . 0.0 108.807 179.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 104' ' ' LEU . 62.9 tp -60.19 -43.96 95.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.395 -0.815 . . . . 0.0 109.274 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -59.92 -46.98 87.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 109.669 -179.464 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.11 -40.46 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.123 -0.986 . . . . 0.0 110.064 -179.549 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.96 -42.46 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.041 -1.037 . . . . 0.0 108.583 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.85 -40.11 91.64 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.661 -0.65 . . . . 0.0 109.345 179.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -60.57 -40.64 92.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 0.0 109.649 -179.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.5 -39.99 89.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.104 -0.998 . . . . 0.0 109.305 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.006 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.36 -42.88 99.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.236 179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.65 -40.85 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.377 -0.827 . . . . 0.0 109.273 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.16 -40.01 88.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.46 -0.775 . . . . 0.0 109.456 179.696 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 29' ' ' ARG . 53.5 mtt-85 -60.12 -40.79 90.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.629 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.1 mt -62.95 -39.98 96.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.181 -0.949 . . . . 0.0 109.621 -179.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -64.27 -40.03 95.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 0.0 109.823 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.28 -39.96 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.091 -1.005 . . . . 0.0 108.957 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.99 -48.19 82.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.466 -0.771 . . . . 0.0 110.937 -179.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.74 -46.18 92.55 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.235 -1.156 . . . . 0.0 109.844 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -61.8 -40.02 93.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.189 -0.944 . . . . 0.0 109.813 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.739 HD21 ' NH2' ' A' ' 41' ' ' ARG . 55.1 t-20 -59.89 -40.79 89.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 109.517 -179.466 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.96 -39.9 91.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 109.164 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.07 -40.26 88.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.032 -1.043 . . . . 0.0 109.55 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.28 -40.15 89.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.799 -1.188 . . . . 0.0 108.807 179.744 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.739 ' NH2' HD21 ' A' ' 37' ' ' ASN . 25.6 mtt-85 -65.85 -40.01 91.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 179.317 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.05 -42.59 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' THR . 39.9 p -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.062 -1.023 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.24 98.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.251 -0.906 . . . . 0.0 108.845 179.42 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -60.05 -40.0 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.282 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.95 -40.01 87.55 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.313 -0.867 . . . . 0.0 109.707 -178.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.982 -1.074 . . . . 0.0 109.347 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 64.3 m-85 -69.98 -39.42 75.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.478 179.381 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.787 -1.196 . . . . 0.0 108.755 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.01 -40.06 87.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.545 -1.347 . . . . 0.0 108.037 178.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.74 -38.92 86.81 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.398 178.703 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.603 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -57.93 -40.13 79.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.916 -1.115 . . . . 0.0 108.7 -179.771 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.603 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.03 -38.34 82.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.101 -1.0 . . . . 0.0 108.543 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.93 -39.79 86.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 0.0 109.911 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.67 117.38 15.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.901 -1.124 . . . . 0.0 108.87 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.77 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.2 m-80 -132.93 -58.59 0.91 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.516 -179.397 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.721 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.69 116.29 3.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.072 -1.018 . . . . 0.0 110.05 -179.014 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.74 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 85.9 m95 -101.79 124.89 48.18 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 110.384 -179.819 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 67.98 22.27 73.95 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.835 -1.174 . . . . 0.0 110.575 178.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.15 23.61 0.19 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.679 -1.483 . . . . 0.0 109.286 -179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.61 99.46 1.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.007 -1.058 . . . . 0.0 110.155 179.514 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -106.93 12.12 29.15 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.352 -0.843 . . . . 0.0 110.101 179.166 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.4 23.34 3.45 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.142 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.38 153.05 35.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 t -101.76 58.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.916 -1.115 . . . . 0.0 108.686 179.18 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.62 157.53 43.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 109.423 179.367 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -129.97 132.59 46.36 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.77 111.05 22.67 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.421 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 6.0 t -115.39 119.86 37.67 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.652 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.77 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -116.25 88.65 23.56 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.567 -0.708 . . . . 0.0 109.774 -178.911 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.21 61.57 5.75 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.651 2.234 . . . . 0.0 111.429 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -69.98 130.88 89.47 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.499 -0.751 . . . . 0.0 109.327 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -41.3 148.59 0.25 Allowed 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.163 1.242 . . . . 0.0 111.028 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -131.04 -39.45 1.2 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.319 -0.863 . . . . 0.0 109.074 -179.439 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.32 125.14 37.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -80.77 111.23 17.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.856 -1.153 . . . . 0.0 108.042 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.6 mt -77.28 139.46 39.82 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.212 -178.636 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -139.31 85.21 15.62 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 26.4 Cg_endo -102.06 -43.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.636 2.89 . . . . 0.0 114.724 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 86.6 tttt -76.73 -45.39 29.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.102 -0.999 . . . . 0.0 113.22 -175.68 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.0 p90 -88.2 -52.05 5.44 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.46 -1.4 . . . . 0.0 112.42 -177.516 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 41.4 t30 -61.3 -40.03 92.65 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.497 -1.377 . . . . 0.0 111.042 -179.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -60.08 -49.14 78.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 109.952 -178.729 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -43.68 95.21 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.004 -1.06 . . . . 0.0 109.246 -179.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.5 p -69.85 -39.95 76.1 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.171 -0.956 . . . . 0.0 109.212 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -66.41 -40.05 89.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.139 -0.976 . . . . 0.0 109.274 179.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -59.99 -41.09 91.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.988 -1.07 . . . . 0.0 108.961 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 52.6 tp10 -60.41 -40.0 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.043 -1.035 . . . . 0.0 109.272 178.7 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 56.8 t90 -59.99 -49.94 75.71 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.335 -0.853 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.3 -39.06 82.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.611 -1.306 . . . . 0.0 108.998 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.06 -43.25 95.55 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.116 -0.99 . . . . 0.0 109.738 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 31.6 mttp -59.98 -43.92 94.83 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.721 -1.237 . . . . 0.0 108.989 179.109 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.56 -40.47 84.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 108.798 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -61.27 -40.54 94.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.278 -0.889 . . . . 0.0 110.774 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.818 -1.176 . . . . 0.0 109.437 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.98 -40.56 95.15 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.275 -0.891 . . . . 0.0 109.733 -179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 101' ' ' THR . 98.8 mt-10 -62.09 -42.84 99.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.917 -1.114 . . . . 0.0 108.915 179.077 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.31 -42.83 99.32 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.459 -0.776 . . . . 0.0 109.103 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.28 -39.93 93.21 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.674 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.47 -40.46 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.233 -0.917 . . . . 0.0 109.255 179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 97' ' ' GLU . 34.7 p -63.13 -41.02 99.23 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.168 -0.958 . . . . 0.0 108.947 179.629 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.62 76.93 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -0.805 . . . . 0.0 109.129 179.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.17 -46.02 91.11 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.38 -0.825 . . . . 0.0 109.382 179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' CD2' HD11 ' A' ' 18' ' ' LEU . 87.0 mt -60.93 -42.3 97.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 0.0 109.139 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -46.66 88.78 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.177 -0.952 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.74 -40.2 88.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.143 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -47.24 86.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.298 -0.877 . . . . 0.0 109.372 179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -59.94 -47.02 87.51 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.949 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.384 -0.822 . . . . 0.0 109.088 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.42 -40.24 93.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.447 -0.783 . . . . 0.0 109.236 179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -59.99 -46.52 89.2 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.406 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -65.46 -40.01 92.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 109.954 -179.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -66.69 -40.19 88.4 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.011 -1.056 . . . . 0.0 109.33 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.83 -39.99 76.13 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.033 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.561 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 67.3 t80 -60.0 -47.65 84.96 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.557 -0.714 . . . . 0.0 109.374 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.27 -40.08 89.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.236 -0.915 . . . . 0.0 108.623 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.38 -41.37 93.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.456 -0.777 . . . . 0.0 109.698 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.1 mt-30 -60.76 -41.04 94.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.053 -1.029 . . . . 0.0 110.029 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.561 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.5 mmtm -60.06 -40.15 88.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 109.349 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.95 -49.44 77.68 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.655 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -117.11 58.71 0.77 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.977 -1.011 . . . . 0.0 108.918 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 27.2 mt-30 -71.63 144.12 49.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 109.404 179.828 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -88.26 58.95 5.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.045 -1.034 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.14 -40.03 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.475 -0.765 . . . . 0.0 109.292 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.68 -42.81 97.86 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.262 -0.899 . . . . 0.0 109.483 179.743 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' B' ' 5' ' ' THR . 59.0 tp -60.01 -43.46 95.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.074 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.62 -40.0 90.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 179.374 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.26 91.38 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.149 -0.969 . . . . 0.0 108.695 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.63 76.76 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.34 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.371 -1.076 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.95 -44.66 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.109 -0.994 . . . . 0.0 109.2 -179.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.26 -39.98 92.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.086 -1.009 . . . . 0.0 109.77 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.95 -40.43 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.029 -1.044 . . . . 0.0 109.41 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.47 -40.82 92.64 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.033 -1.042 . . . . 0.0 108.751 179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.79 -41.34 97.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.508 -0.745 . . . . 0.0 109.283 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.98 -40.84 97.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.511 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.12 -40.43 96.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 108.929 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' B' ' 104' ' ' LEU . 62.3 tp -60.19 -44.19 95.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.802 . . . . 0.0 109.207 179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.695 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.93 -40.41 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.033 -1.042 . . . . 0.0 110.258 -179.699 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.94 -42.63 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.072 -1.018 . . . . 0.0 108.633 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -60.75 -40.02 90.88 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.629 -0.669 . . . . 0.0 109.303 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.72 -40.7 93.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.3 -39.96 88.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.035 -1.04 . . . . 0.0 109.399 179.412 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.11 -48.53 81.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.923 . . . . 0.0 109.033 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.07 -43.76 98.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.154 -0.966 . . . . 0.0 109.146 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.66 -41.15 94.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.3 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.51 -0.744 . . . . 0.0 109.578 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 29' ' ' ARG . 54.0 mtt-85 -60.14 -40.67 90.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.277 -0.889 . . . . 0.0 109.695 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -63.15 -39.96 96.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.156 -0.965 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.16 -39.89 94.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.943 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.4 -39.91 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.1 179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -60.08 -48.13 82.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.391 -0.818 . . . . 0.0 110.867 -179.371 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.15 92.71 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.406 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -1.134 . . . . 0.0 109.799 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -61.87 -40.0 93.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.749 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.713 HD21 ' NH2' ' B' ' 41' ' ' ARG . 57.2 t-20 -60.03 -40.56 89.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.634 -179.469 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.97 -40.05 91.92 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.93 -1.106 . . . . 0.0 109.2 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.91 -40.27 88.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.129 -0.982 . . . . 0.0 109.544 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 66.4 p -60.2 -40.29 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.021 -1.049 . . . . 0.0 108.759 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.713 ' NH2' HD21 ' B' ' 37' ' ' ASN . 25.5 mtt-85 -65.83 -40.0 91.38 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.243 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -42.73 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.506 -0.747 . . . . 0.0 109.153 -179.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -60.39 -40.05 89.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.037 -1.039 . . . . 0.0 109.391 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.49 97.77 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.198 -0.939 . . . . 0.0 108.698 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.0 -40.03 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.57 -0.706 . . . . 0.0 109.174 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.98 -39.97 87.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.247 -0.908 . . . . 0.0 109.631 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -62.6 -40.11 95.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.784 -1.198 . . . . 0.0 109.343 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 64.6 m-85 -69.94 -39.45 76.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.188 -0.945 . . . . 0.0 109.4 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.0 -39.91 87.39 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.874 -1.142 . . . . 0.0 108.954 179.197 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -60.02 -40.09 88.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.716 -1.24 . . . . 0.0 107.964 178.739 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.85 -38.81 86.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -0.815 . . . . 0.0 109.304 178.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.593 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.14 -39.95 80.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.893 -1.129 . . . . 0.0 108.71 -179.786 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.593 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.0 -38.53 82.91 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.724 . . . . 0.0 110.066 179.838 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -73.29 117.49 15.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.883 -1.135 . . . . 0.0 108.849 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.763 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 71.1 m-80 -132.89 -59.04 0.9 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.552 -0.718 . . . . 0.0 110.474 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.74 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.47 115.99 3.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.988 . . . . 0.0 110.046 -179.022 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 85.7 m95 -101.4 124.85 47.74 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.428 -0.795 . . . . 0.0 110.444 -179.74 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.61 22.75 73.58 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.583 178.552 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -77.4 23.65 0.21 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.835 -1.391 . . . . 0.0 109.155 -179.55 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.71 99.65 1.57 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 110.096 179.483 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -107.27 12.2 28.44 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.267 -0.896 . . . . 0.0 110.052 179.168 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -135.25 23.34 3.49 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.45 153.2 35.49 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -102.0 58.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.92 -1.113 . . . . 0.0 108.715 179.147 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.95 157.41 42.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 109.494 179.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -129.8 132.65 46.59 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.92 110.89 22.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.734 -1.229 . . . . 0.0 109.446 -179.602 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.477 ' O ' HG23 ' B' ' 69' ' ' THR . 6.1 t -115.14 120.07 38.52 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.578 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.763 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 80.8 t -116.26 88.53 23.23 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.506 -0.746 . . . . 0.0 109.73 -178.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -84.93 61.61 6.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.633 2.222 . . . . 0.0 111.469 179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -70.03 130.8 89.46 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.551 -0.718 . . . . 0.0 109.186 -179.645 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.47 148.49 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.206 0 C-N-CA 121.173 1.248 . . . . 0.0 111.049 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -130.96 -38.77 1.23 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.346 -0.847 . . . . 0.0 109.16 -179.512 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.65 125.05 38.05 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.62 111.05 16.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.17 . . . . 0.0 108.115 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 35.0 mt -77.19 139.43 39.9 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.174 -178.653 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.726 ' O ' HG23 ' B' ' 78' ' ' THR . 8.7 t -139.38 85.13 15.57 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.47 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -102.09 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.557 2.838 . . . . 0.0 114.66 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.52 -45.49 30.59 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.25 -0.906 . . . . 0.0 113.271 -175.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.9 p90 -88.19 -52.2 5.36 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.487 -1.383 . . . . 0.0 112.408 -177.48 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.625 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 41.4 t30 -61.05 -40.05 92.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.52 -1.363 . . . . 0.0 111.031 -179.015 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.02 -49.59 77.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.925 -1.109 . . . . 0.0 109.868 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -43.46 95.01 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.987 -1.071 . . . . 0.0 109.28 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -69.93 -40.01 75.78 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 109.167 179.388 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -66.56 -39.91 88.76 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.064 -1.022 . . . . 0.0 109.228 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.99 -40.89 90.73 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.013 -1.054 . . . . 0.0 109.036 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 53.4 tp10 -60.77 -39.99 90.85 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.979 -1.076 . . . . 0.0 109.118 178.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.488 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.5 t90 -60.0 -49.99 75.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 0.0 110.984 -178.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -68.22 -39.12 82.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.634 -1.291 . . . . 0.0 108.995 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.02 -43.08 95.51 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.815 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' B' ' 88' ' ' GLU . 31.2 mttp -60.06 -43.44 95.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.206 . . . . 0.0 108.882 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.96 -40.5 85.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.277 -0.89 . . . . 0.0 108.825 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.49 -40.56 95.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 0.0 110.726 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.81 -40.05 76.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.769 -1.207 . . . . 0.0 109.522 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.88 -40.73 95.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 109.766 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.84 -43.11 99.5 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.915 -1.116 . . . . 0.0 108.82 179.092 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.34 -42.13 98.18 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.0 109.076 179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -66.02 -40.02 90.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.291 -0.88 . . . . 0.0 109.488 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -67.2 -40.22 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 109.179 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.5 p -63.54 -40.99 98.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.89 75.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.405 -0.809 . . . . 0.0 109.012 179.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -46.04 90.71 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.413 -0.804 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.411 ' CD2' HD11 ' B' ' 18' ' ' LEU . 86.9 mt -60.91 -42.32 97.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.09 -46.0 91.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.206 -0.934 . . . . 0.0 109.132 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.36 -40.0 85.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 0.0 108.994 179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.49 85.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.3 -0.875 . . . . 0.0 109.31 179.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.03 -46.42 89.57 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.15 -0.969 . . . . 0.0 108.883 179.67 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.67 -50.0 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.325 -0.859 . . . . 0.0 109.117 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.73 -40.03 93.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.507 -0.746 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -60.07 -46.2 90.34 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.422 -0.799 . . . . 0.0 109.347 -179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.91 -40.07 95.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -65.62 -40.01 92.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.113 -0.992 . . . . 0.0 109.99 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.58 88.81 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.965 -1.084 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.5 ttt -69.49 -40.05 77.26 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.555 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 67.0 t80 -60.0 -47.77 84.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.527 -0.733 . . . . 0.0 109.347 179.651 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -40.07 88.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.201 -0.937 . . . . 0.0 108.759 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.45 -41.63 94.49 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.549 -0.72 . . . . 0.0 109.74 179.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.52 -41.16 93.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.981 -1.074 . . . . 0.0 110.087 -179.779 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.555 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.1 mmtm -60.15 -40.0 88.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.165 -0.959 . . . . 0.0 109.482 -179.731 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -49.51 77.36 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.94 58.44 0.77 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.3 p . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 118.075 -0.965 . . . . 0.0 109.063 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.419 ' O ' ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.348 0.594 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' B' ' 1' ' ' ALA . 27.2 mt-30 -71.32 144.02 50.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.93 . . . . 0.0 109.431 179.781 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -88.27 58.82 4.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 0.0 108.918 179.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.1 -40.04 95.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.508 -0.745 . . . . 0.0 109.407 179.415 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.493 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.0 t -60.75 -42.6 97.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.356 -0.84 . . . . 0.0 109.57 179.703 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.493 ' N ' HG23 ' C' ' 5' ' ' THR . 59.0 tp -60.08 -43.03 95.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.174 -0.954 . . . . 0.0 109.047 -179.86 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.13 -39.93 91.9 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.433 -0.792 . . . . 0.0 109.682 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.1 91.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.087 -1.008 . . . . 0.0 108.654 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.47 -46.56 76.43 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 178.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.05 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -1.033 . . . . 0.0 109.676 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.05 -45.06 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.129 -0.982 . . . . 0.0 109.131 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.88 -40.0 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.24 -0.913 . . . . 0.0 109.711 179.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -40.72 90.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.019 -1.051 . . . . 0.0 109.352 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -60.11 -40.75 90.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.993 -1.067 . . . . 0.0 108.765 179.475 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.14 -41.13 97.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.409 -0.807 . . . . 0.0 109.328 -179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.98 -41.01 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.2 -40.39 95.97 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.275 -0.891 . . . . 0.0 108.975 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' C' ' 104' ' ' LEU . 63.4 tp -60.1 -44.02 95.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.544 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.0 -46.92 87.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -0.864 . . . . 0.0 109.685 -179.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.09 -40.37 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.07 -1.019 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.01 -42.28 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 108.477 -179.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.99 -40.35 93.13 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.58 -0.7 . . . . 0.0 109.159 179.145 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -60.4 -40.86 92.45 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 -179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.4 -39.96 89.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.059 -1.025 . . . . 0.0 109.296 179.612 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.04 -48.55 81.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.204 -0.935 . . . . 0.0 109.075 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -43.3 99.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.08 -41.13 96.08 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.467 -0.77 . . . . 0.0 109.264 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.99 -39.96 87.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.825 . . . . 0.0 109.569 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' C' ' 29' ' ' ARG . 54.2 mtt-85 -60.27 -40.71 91.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.911 . . . . 0.0 109.662 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.4 mt -63.05 -40.04 96.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.095 -1.003 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.7 p -64.32 -39.99 95.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.146 -0.971 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.3 -39.93 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.178 -0.951 . . . . 0.0 109.042 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -59.98 -48.55 81.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.899 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.14 92.21 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.337 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.0 -49.96 75.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -1.153 . . . . 0.0 109.681 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -61.92 -40.06 94.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.088 -1.008 . . . . 0.0 109.753 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.728 HD21 ' NH2' ' C' ' 41' ' ' ARG . 58.6 t-20 -60.01 -40.95 91.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.418 -179.387 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.57 -40.08 90.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.943 -1.098 . . . . 0.0 109.229 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.96 -40.28 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 109.612 -179.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' C' ' 43' ' ' THR . 73.3 p -60.27 -39.98 88.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.98 -1.075 . . . . 0.0 108.844 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.728 ' NH2' HD21 ' C' ' 37' ' ' ASN . 25.4 mtt-85 -66.0 -40.03 90.78 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.99 -42.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.549 -0.719 . . . . 0.0 109.134 -179.565 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.9 p -60.47 -40.02 89.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.463 179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.36 97.53 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.208 -0.933 . . . . 0.0 108.783 179.346 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.11 -40.01 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.553 -0.717 . . . . 0.0 109.125 179.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -40.01 87.92 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.633 -178.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.51 -40.16 95.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.888 -1.133 . . . . 0.0 109.428 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.451 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 64.0 m-85 -70.0 -39.59 75.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.871 . . . . 0.0 109.354 179.407 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.97 -39.96 87.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.814 -1.178 . . . . 0.0 108.792 179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.02 -40.11 88.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.603 -1.311 . . . . 0.0 108.054 178.732 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.68 -38.91 86.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.479 -0.763 . . . . 0.0 109.315 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.595 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -58.12 -40.02 80.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.951 -1.093 . . . . 0.0 108.754 -179.678 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.595 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -60.01 -38.3 82.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.122 -0.986 . . . . 0.0 108.429 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.98 -39.85 87.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.377 -0.827 . . . . 0.0 109.93 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.43 117.6 15.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.893 -1.129 . . . . 0.0 108.847 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.777 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.1 m-80 -132.91 -59.0 0.9 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.457 -0.777 . . . . 0.0 110.545 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.69 116.45 3.83 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.944 -1.097 . . . . 0.0 110.009 -179.044 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.721 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 85.8 m95 -101.8 124.88 48.18 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.437 -0.789 . . . . 0.0 110.528 -179.818 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.8 22.42 73.71 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.462 178.487 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.12 23.79 0.18 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.819 -1.401 . . . . 0.0 109.209 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.92 99.39 1.53 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.923 -1.111 . . . . 0.0 110.05 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -107.02 12.12 28.98 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.328 -0.858 . . . . 0.0 110.052 179.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -135.31 23.33 3.47 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.32 153.21 35.69 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.724 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.7 t -102.04 58.77 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.904 -1.122 . . . . 0.0 108.667 179.191 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.49 43.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.42 -0.8 . . . . 0.0 109.455 179.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.97 132.62 46.37 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.9 110.72 22.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.188 . . . . 0.0 109.563 -179.612 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.484 ' O ' HG23 ' C' ' 69' ' ' THR . 5.9 t -115.14 119.96 38.17 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.777 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 82.3 t -116.12 88.52 22.58 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.468 -0.77 . . . . 0.0 109.807 -178.735 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.97 61.44 5.95 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.683 2.255 . . . . 0.0 111.562 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -69.97 130.84 89.53 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.516 -0.74 . . . . 0.0 109.252 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -41.43 148.45 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.166 1.244 . . . . 0.0 111.057 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.468 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 0.4 OUTLIER -130.89 -39.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.294 -0.879 . . . . 0.0 109.121 -179.481 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.62 125.11 38.05 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -80.64 111.32 16.96 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.866 -1.146 . . . . 0.0 108.08 -179.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.5 mt -77.34 139.46 39.77 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.159 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.718 HG23 ' O ' ' C' ' 78' ' ' THR . 8.9 t -139.63 85.15 15.08 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -102.18 -43.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.694 2.93 . . . . 0.0 114.722 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.61 -45.5 29.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.047 -1.033 . . . . 0.0 113.228 -175.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.9 p90 -88.16 -51.78 5.59 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.536 -1.353 . . . . 0.0 112.409 -177.445 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 41.5 t30 -61.54 -40.07 93.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.441 -1.412 . . . . 0.0 111.127 -179.041 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -59.9 -49.69 76.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.946 -1.096 . . . . 0.0 109.935 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.86 -43.42 94.7 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.957 -1.089 . . . . 0.0 109.233 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.8 p -69.94 -40.1 75.67 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.167 -0.958 . . . . 0.0 109.121 179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -66.43 -40.06 89.3 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.062 -1.024 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.98 -40.65 89.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.856 -1.152 . . . . 0.0 109.023 -179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.531 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 53.2 tp10 -60.97 -39.97 91.6 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.03 -1.044 . . . . 0.0 109.162 178.823 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 56.9 t90 -60.09 -50.02 75.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.382 -0.824 . . . . 0.0 110.784 -178.533 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.04 -39.32 83.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.599 -1.313 . . . . 0.0 109.044 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -59.95 -43.15 95.17 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.134 -0.979 . . . . 0.0 109.888 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . 0.531 ' NZ ' ' OE2' ' C' ' 88' ' ' GLU . 32.1 mttp -60.01 -43.46 95.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 108.958 179.022 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.96 -40.59 85.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.272 -0.892 . . . . 0.0 108.835 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.32 -40.56 94.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.9 . . . . 0.0 110.722 -179.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.96 -39.97 75.71 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.761 -1.212 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.85 -40.82 95.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.313 -0.867 . . . . 0.0 109.672 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.46 -43.17 99.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.904 -1.123 . . . . 0.0 108.969 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.74 -41.66 97.94 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.154 179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -66.21 -39.96 89.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.42 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -40.26 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.261 -0.899 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -63.34 -41.1 98.84 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.091 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.302 -0.874 . . . . 0.0 109.131 179.363 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.97 -45.74 91.7 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.463 -0.773 . . . . 0.0 109.311 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.41 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.5 mt -61.16 -42.38 98.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.149 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -46.63 88.8 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.274 -0.891 . . . . 0.0 109.063 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -66.64 -40.18 88.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.253 -0.904 . . . . 0.0 109.07 179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.34 86.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.355 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.088 -1.007 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -50.0 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.331 -0.856 . . . . 0.0 109.093 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -61.51 -40.45 94.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.456 -0.777 . . . . 0.0 109.265 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -59.96 -46.1 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.328 -0.858 . . . . 0.0 109.478 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.84 -40.23 96.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 0.0 109.992 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -65.71 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.971 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.63 -40.38 88.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.038 -1.039 . . . . 0.0 109.204 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.5 -40.01 77.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.512 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 67.7 t80 -60.02 -47.47 85.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.489 -0.757 . . . . 0.0 109.336 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.4 -40.11 89.75 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.38 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -41.49 93.75 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.572 -0.705 . . . . 0.0 109.748 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.0 mt-30 -60.68 -41.36 94.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.019 . . . . 0.0 110.005 -179.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.512 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.7 mmtm -59.95 -39.96 87.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 109.516 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.05 -49.35 77.99 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -117.12 58.44 0.78 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.042 179.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -78.31 143.82 36.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.115 -0.991 . . . . 0.0 109.408 -179.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.89 62.32 4.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 109.224 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.41 -39.97 94.87 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.332 -0.855 . . . . 0.0 109.266 179.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.23 -41.74 93.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.745 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.69 -41.69 98.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.963 -1.086 . . . . 0.0 108.883 179.47 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.04 -38.96 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.502 -0.749 . . . . 0.0 109.643 179.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.05 87.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.003 -1.061 . . . . 0.0 108.941 -179.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -46.47 62.72 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.02 -47.69 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.389 -1.065 . . . . 0.0 109.644 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.05 -45.54 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.156 -0.965 . . . . 0.0 109.595 -179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.8 -40.1 91.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 109.962 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.08 -41.32 92.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.093 -1.005 . . . . 0.0 109.302 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.18 -41.05 92.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.056 -1.028 . . . . 0.0 109.132 179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.13 -47.23 86.76 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.419 -0.801 . . . . 0.0 109.275 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.63 -44.29 96.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 0.0 109.494 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.1 -43.24 95.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.243 -0.911 . . . . 0.0 109.28 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.06 -44.35 94.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.416 -0.803 . . . . 0.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.07 -47.16 87.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.399 -0.813 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.08 -40.55 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.109 -0.994 . . . . 0.0 109.453 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.96 -45.12 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.195 -0.94 . . . . 0.0 109.072 179.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.48 -41.9 95.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.584 -0.698 . . . . 0.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 43.8 mtt-85 -61.02 -40.06 92.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.747 . . . . 0.0 109.752 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.06 -39.88 87.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.088 -1.008 . . . . 0.0 108.929 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 73.1 tp60 -60.17 -46.32 90.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 109.308 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.31 -40.64 90.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.08 -1.013 . . . . 0.0 109.244 179.575 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 HD13 ' B' ' 28' ' ' LEU . 29.5 tp -61.05 -40.2 92.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.158 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' C' ' 27' ' ' LEU . 22.2 mt -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.373 -0.829 . . . . 0.0 109.319 179.211 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 47.8 mtt-85 -60.11 -41.3 92.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.84 -1.162 . . . . 0.0 109.578 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.6 mt -60.77 -41.12 94.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.013 -1.054 . . . . 0.0 109.342 -179.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.34 -40.0 93.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.165 -0.959 . . . . 0.0 109.88 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.32 -39.99 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.384 -0.822 . . . . 0.0 109.158 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.97 -45.76 91.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 110.753 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.37 53.38 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -179.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -60.44 -50.07 75.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.085 -1.244 . . . . 0.0 109.977 -179.494 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -60.06 -40.06 88.17 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.906 . . . . 0.0 109.402 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.558 HD21 HD21 ' B' ' 82' ' ' ASN . 41.7 t30 -60.07 -40.0 87.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.298 -0.876 . . . . 0.0 109.54 -179.729 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.18 -39.88 88.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 109.178 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.08 -40.03 88.14 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.159 -0.963 . . . . 0.0 109.373 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.5 p -60.27 -40.4 90.22 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.985 -1.072 . . . . 0.0 108.695 179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.814 ' NH2' HG21 ' B' ' 78' ' ' THR . 82.0 mtt180 -69.91 -36.54 75.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.404 -0.81 . . . . 0.0 108.856 178.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.75 -43.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.2 p -59.93 -40.09 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.719 -1.192 . . . . 0.0 108.794 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.04 89.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.406 -0.809 . . . . 0.0 108.909 179.267 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.0 mt -60.77 -39.89 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.372 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 13.2 mm-40 -60.05 -40.06 88.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.438 -0.789 . . . . 0.0 109.843 -179.13 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.7 -43.59 98.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.968 -1.082 . . . . 0.0 109.565 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 50.6 m-85 -63.02 -39.94 96.26 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.1 -40.01 88.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.969 -1.082 . . . . 0.0 110.103 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.0 -39.9 87.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.173 -1.58 . . . . 0.0 107.926 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.22 -38.98 85.03 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.617 -0.677 . . . . 0.0 109.189 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.487 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.26 -39.95 84.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.244 -0.91 . . . . 0.0 109.267 -179.795 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.91 84.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.795 -1.191 . . . . 0.0 108.294 179.71 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 109.592 -179.784 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.95 116.17 10.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.99 -1.069 . . . . 0.0 108.634 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.677 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.3 -66.31 0.66 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.382 -0.824 . . . . 0.0 110.067 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.758 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.03 117.29 4.56 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.338 -0.851 . . . . 0.0 109.164 -179.297 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.722 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 83.8 m95 -98.46 126.06 43.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.234 -0.916 . . . . 0.0 110.759 -179.117 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 60.07 30.66 70.79 Favored Glycine 0 N--CA 1.49 2.261 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.771 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -77.3 24.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.632 -1.51 . . . . 0.0 109.237 -179.868 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.19 106.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.718 -1.239 . . . . 0.0 110.603 179.582 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -112.29 12.32 20.25 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.329 -0.857 . . . . 0.0 109.488 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.48 23.0 4.02 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.012 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -150.84 152.7 34.12 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.54 59.14 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.035 -1.04 . . . . 0.0 108.608 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.74 42.76 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.665 -0.647 . . . . 0.0 109.552 179.474 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.75 132.15 47.9 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.89 22.24 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.773 -1.205 . . . . 0.0 109.716 -179.066 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.72 122.83 46.7 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.677 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 76.4 t -127.36 83.81 65.07 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.402 -0.811 . . . . 0.0 109.695 -179.266 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.1 62.7 4.18 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.821 2.347 . . . . 0.0 110.872 178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -68.6 129.6 92.48 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -42.2 147.42 0.51 Allowed 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.17 1.247 . . . . 0.0 110.661 179.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 12.9 t-20 -132.38 -36.6 1.11 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.28 -0.888 . . . . 0.0 109.538 -179.244 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -93.38 123.72 36.87 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -83.05 104.25 13.11 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -81.41 136.59 35.7 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.42 0.628 . . . . 0.0 109.761 -178.202 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.815 HG21 ' NH2' ' C' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.14 49.67 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.655 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -91.16 -48.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.248 0 C-N-CA 121.586 1.524 . . . . 0.0 114.074 -179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -121.96 -43.94 2.32 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.266 -0.896 . . . . 0.0 113.214 -177.363 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.4 p90 -60.0 -50.05 75.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.599 -1.313 . . . . 0.0 113.61 -175.413 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.689 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 1.8 t-20 -79.76 -42.61 24.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.004 -1.685 . . . . 0.0 110.55 -177.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.03 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.14 -1.024 . . . . 0.0 109.76 -178.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.58 -44.98 95.59 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.894 -1.129 . . . . 0.0 109.887 179.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' TRP . 75.0 p -69.88 -39.97 75.95 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -63.24 -40.25 96.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.843 -1.161 . . . . 0.0 109.132 -179.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.05 -44.61 94.58 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 118.759 -1.177 . . . . 0.0 108.31 178.967 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.02 -40.3 93.03 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.253 -0.904 . . . . 0.0 108.752 178.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -60.03 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.0 109.349 179.739 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.3 -41.84 97.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.935 . . . . 0.0 109.502 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.27 -41.24 96.59 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 110.476 -179.833 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.19 -41.09 92.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.777 -1.202 . . . . 0.0 109.484 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.63 -40.12 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.9 -1.125 . . . . 0.0 109.224 179.162 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.12 -47.86 84.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.317 -179.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.36 -40.84 98.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.841 -1.162 . . . . 0.0 109.844 -179.224 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.4 mt -68.88 -39.95 79.49 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.047 -1.033 . . . . 0.0 109.294 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 25' ' ' GLN . 51.8 tp10 -61.58 -45.73 92.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.084 -1.01 . . . . 0.0 109.377 179.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.17 -49.03 79.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.0 109.736 -179.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 40.0 t-20 -60.23 -43.5 96.0 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 109.625 -179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.29 -44.95 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.168 -0.958 . . . . 0.0 109.626 179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -60.77 -40.94 94.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.985 -1.072 . . . . 0.0 109.65 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.902 . . . . 0.0 109.946 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.9 -41.68 96.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.011 -1.055 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.52 -45.99 91.78 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.952 -1.092 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.19 -49.65 76.8 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.993 -1.067 . . . . 0.0 108.986 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.66 -43.02 98.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.36 89.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.754 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.61 -41.19 97.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.97 . . . . 0.0 109.877 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.34 -43.47 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.9 -40.02 75.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.86 . . . . 0.0 109.84 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.6 -45.26 94.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.26 -0.9 . . . . 0.0 108.813 179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.407 -0.808 . . . . 0.0 109.65 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.99 -43.58 95.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.237 -0.914 . . . . 0.0 109.882 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.54 -47.47 86.05 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.92 -1.113 . . . . 0.0 109.137 -179.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -65.39 -40.17 93.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.257 -0.902 . . . . 0.0 109.052 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.05 -46.88 88.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.469 -0.769 . . . . 0.0 109.711 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.76 -40.57 95.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.179 -0.951 . . . . 0.0 109.751 -179.482 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.25 -41.67 93.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 0.0 108.971 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.52 -40.07 93.29 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 109.844 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.07 -39.32 85.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.365 -0.835 . . . . 0.0 109.317 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.19 -46.39 88.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -123.6 61.01 1.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.516 -0.74 . . . . 0.0 109.549 179.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.144 179.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -78.28 143.92 36.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 109.455 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.8 62.19 4.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.247 -0.908 . . . . 0.0 109.279 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.0 94.85 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.25 -41.76 93.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.945 . . . . 0.0 109.755 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.8 -41.47 97.89 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.038 -1.039 . . . . 0.0 108.95 179.541 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.2 mt -62.23 -38.87 90.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.57 -0.706 . . . . 0.0 109.665 179.352 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.055 . . . . 0.0 109.033 -179.479 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.24 -46.31 65.3 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 178.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.27 -47.67 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.384 -1.068 . . . . 0.0 109.694 179.515 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -45.93 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.238 -0.914 . . . . 0.0 109.474 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.7 -40.16 91.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.125 -0.985 . . . . 0.0 109.892 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -59.97 -41.13 91.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.0 109.295 -179.621 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.42 -40.85 92.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.048 -1.032 . . . . 0.0 109.046 179.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.13 -47.81 84.35 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 108.929 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.15 -44.12 95.23 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.322 -0.861 . . . . 0.0 109.507 -179.64 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.35 -43.11 96.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.244 179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.03 -44.55 94.57 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.406 -0.809 . . . . 0.0 109.528 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.97 -47.35 86.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.989 -179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.18 -40.39 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.964 -1.085 . . . . 0.0 109.462 -179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.92 -44.94 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -0.94 . . . . 0.0 109.122 179.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.52 -42.04 95.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.548 -0.72 . . . . 0.0 109.187 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.572 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 45.4 mtt-85 -61.05 -39.82 91.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.692 . . . . 0.0 109.609 -179.637 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.16 -39.92 88.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 108.819 179.455 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' B' ' 97' ' ' GLU . 72.9 tp60 -60.09 -46.19 90.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.56 -40.47 89.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.872 -1.142 . . . . 0.0 109.366 179.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' C' ' 28' ' ' LEU . 28.4 tp -61.16 -40.11 92.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.379 -0.826 . . . . 0.0 108.777 179.229 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.405 HD13 HD23 ' A' ' 27' ' ' LEU . 22.1 mt -59.93 -40.08 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.551 -0.718 . . . . 0.0 109.399 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' NH2' ' OE2' ' B' ' 97' ' ' GLU . 47.4 mtt-85 -60.0 -41.49 92.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.044 -1.035 . . . . 0.0 109.653 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 92.2 mt -60.74 -40.87 94.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.393 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -65.68 -39.91 91.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.208 -0.933 . . . . 0.0 109.789 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.37 -40.24 85.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.362 -0.837 . . . . 0.0 109.063 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -59.96 -45.67 91.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.58 -52.53 52.53 Favored Glycine 0 N--CA 1.49 2.242 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.305 -179.272 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.38 -50.04 75.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.086 -1.243 . . . . 0.0 110.053 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 0.0 109.495 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.581 HD21 HD21 ' C' ' 82' ' ' ASN . 41.4 t30 -60.03 -40.09 88.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.251 -0.905 . . . . 0.0 109.486 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.972 -1.08 . . . . 0.0 109.084 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.16 88.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.311 -179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.8 p -59.99 -40.71 90.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.035 -1.04 . . . . 0.0 108.818 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.838 ' NH2' HG21 ' C' ' 78' ' ' THR . 82.3 mtt180 -69.32 -36.58 77.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.2 -0.937 . . . . 0.0 108.979 178.723 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.08 -43.08 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 179.444 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.1 p -59.93 -40.12 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.77 -1.206 . . . . 0.0 108.818 178.622 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.55 -45.08 88.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 108.912 179.2 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.47 -40.07 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 0.0 109.12 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.427 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 13.2 mm-40 -59.77 -40.15 87.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -62.9 -43.9 97.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.966 -1.084 . . . . 0.0 109.404 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.4 m-85 -62.7 -39.99 95.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.004 -1.06 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.136 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.27 -1.519 . . . . 0.0 107.733 179.275 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.543 -0.723 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.03 -40.07 83.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.208 -0.932 . . . . 0.0 109.222 -179.659 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.16 84.39 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.825 -1.172 . . . . 0.0 108.361 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.09 -39.95 87.88 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.415 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.07 116.24 11.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.868 -1.145 . . . . 0.0 108.742 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.657 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.9 m-80 -133.51 -65.76 0.67 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.353 -0.842 . . . . 0.0 110.079 -179.849 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.722 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.11 117.19 4.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.296 -0.878 . . . . 0.0 109.172 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.74 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 83.8 m95 -98.44 125.81 43.75 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.301 -0.874 . . . . 0.0 110.627 -179.107 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 60.35 30.52 71.44 Favored Glycine 0 N--CA 1.49 2.243 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.831 178.275 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.99 24.12 0.17 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.642 -1.505 . . . . 0.0 109.445 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.35 106.23 1.93 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.881 -1.137 . . . . 0.0 110.647 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -112.29 12.18 20.22 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.793 . . . . 0.0 109.503 178.29 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.49 22.91 4.02 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.094 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.64 152.8 34.55 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.7 59.29 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.929 -1.107 . . . . 0.0 108.599 179.639 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.53 157.86 42.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.613 -0.679 . . . . 0.0 109.332 179.647 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -128.83 132.37 47.8 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.0 110.96 22.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.708 -1.245 . . . . 0.0 109.7 -179.029 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.76 46.46 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.657 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 80.2 t -127.31 83.88 64.87 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 109.675 -179.164 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -87.14 62.7 4.14 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.692 2.262 . . . . 0.0 110.845 179.131 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.3 129.88 92.62 Favored Pre-proline 0 C--N 1.301 -1.502 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -42.38 147.64 0.52 Allowed 'Trans proline' 0 N--CA 1.488 1.15 0 C-N-CA 121.161 1.241 . . . . 0.0 110.536 179.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.0 t-20 -132.71 -36.5 1.07 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.355 -0.84 . . . . 0.0 109.533 -179.138 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -93.68 123.61 37.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -83.05 104.4 13.21 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.5 136.64 35.63 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.476 0.655 . . . . 0.0 109.737 -178.17 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.814 HG21 ' NH2' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -95.69 110.05 49.2 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.802 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -90.96 -49.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.509 1.473 . . . . 0.0 114.055 -179.605 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -122.16 -43.87 2.3 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.331 -0.856 . . . . 0.0 113.252 -177.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.6 p90 -59.98 -49.95 75.65 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.387 -1.446 . . . . 0.0 113.475 -175.439 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.68 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 1.8 t-20 -79.85 -42.69 23.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.058 -1.651 . . . . 0.0 110.518 -177.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.94 -50.06 75.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.975 -1.078 . . . . 0.0 109.831 -179.122 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.45 -45.58 93.15 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 109.862 179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' B' ' 81' ' ' TRP . 70.5 p -69.38 -39.96 77.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.033 -1.042 . . . . 0.0 109.861 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.1 -40.07 96.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.923 -1.111 . . . . 0.0 109.261 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.41 -44.36 95.8 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.238 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.31 -40.37 93.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.2 t90 -60.03 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.394 -0.816 . . . . 0.0 109.43 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.5 -41.96 98.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.22 -40.91 95.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.08 -1.012 . . . . 0.0 110.534 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.02 -41.27 91.81 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.858 -1.151 . . . . 0.0 109.631 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -40.22 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.068 -1.02 . . . . 0.0 109.081 179.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 94' ' ' ASP . 56.0 t0 -59.96 -47.89 83.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.127 -0.983 . . . . 0.0 110.429 -179.656 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -63.18 -40.79 98.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.783 -1.198 . . . . 0.0 109.796 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.85 -40.02 79.6 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.008 -1.058 . . . . 0.0 109.368 -179.782 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' B' ' 25' ' ' GLN . 51.5 tp10 -61.5 -46.14 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.079 -1.013 . . . . 0.0 109.183 179.409 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.0 -48.95 79.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.76 -179.517 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.556 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 39.8 t-20 -60.23 -43.48 96.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.028 -1.045 . . . . 0.0 109.648 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.38 -44.37 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.094 -1.004 . . . . 0.0 109.768 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -61.49 -40.31 94.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.098 -1.001 . . . . 0.0 109.53 -179.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.51 77.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.17 -41.63 97.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.072 -1.018 . . . . 0.0 109.593 -179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -46.1 91.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.979 -1.076 . . . . 0.0 109.428 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.24 -49.61 76.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.043 -1.036 . . . . 0.0 108.946 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.45 -43.46 96.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.371 -0.83 . . . . 0.0 109.021 179.477 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.08 90.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.388 -0.82 . . . . 0.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.07 -40.73 96.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.011 -1.056 . . . . 0.0 109.894 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.79 -43.33 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.077 -1.014 . . . . 0.0 109.18 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.04 -39.87 75.48 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.416 -0.803 . . . . 0.0 109.902 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -60.38 -45.67 92.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.179 -0.95 . . . . 0.0 108.796 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -47.59 85.19 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -0.796 . . . . 0.0 109.785 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.137 -0.977 . . . . 0.0 109.844 -179.411 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.39 -47.86 84.26 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.106 -0.997 . . . . 0.0 109.217 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.34 -40.04 93.14 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.321 -0.862 . . . . 0.0 108.963 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -59.87 -47.13 86.99 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.583 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.64 -40.43 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.83 -179.498 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.39 -41.69 94.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.197 -0.939 . . . . 0.0 108.948 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.1 mt-30 -61.45 -39.93 92.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -0.917 . . . . 0.0 109.878 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -60.09 -39.25 85.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 109.418 -179.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.5 -46.27 89.31 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.582 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -123.68 60.83 1.08 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.537 -0.727 . . . . 0.0 109.735 178.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 0.0 109.169 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -78.3 143.72 36.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.358 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -91.6 62.27 4.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.934 . . . . 0.0 109.209 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -64.48 -40.01 94.87 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.311 -0.868 . . . . 0.0 109.254 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.421 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.33 -41.87 94.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.705 179.963 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.55 -41.46 98.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.948 -1.095 . . . . 0.0 108.967 179.427 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.35 -38.97 91.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.623 -0.673 . . . . 0.0 109.546 179.42 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.09 86.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.049 -1.032 . . . . 0.0 108.987 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.43 -46.72 61.7 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -47.94 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -1.1 . . . . 0.0 109.53 179.621 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.97 -45.73 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.116 -0.99 . . . . 0.0 109.489 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.51 -39.94 89.63 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.903 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.06 -41.41 92.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.058 -1.026 . . . . 0.0 109.392 -179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.42 -41.04 93.12 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.129 -0.982 . . . . 0.0 108.946 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.15 -47.56 85.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.352 -0.842 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.18 -44.04 95.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.41 -43.03 97.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.992 . . . . 0.0 109.351 179.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.0 -44.54 94.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.556 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -60.06 -47.44 85.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.867 . . . . 0.0 109.947 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.07 -40.45 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.967 -1.083 . . . . 0.0 109.592 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -44.85 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.151 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -60.64 -41.85 95.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.518 -0.738 . . . . 0.0 109.252 179.361 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.536 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 45.7 mtt-85 -61.13 -40.09 92.51 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.532 -0.73 . . . . 0.0 109.549 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.96 -39.97 87.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.0 108.923 179.419 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' OE1' ' C' ' 97' ' ' GLU . 73.1 tp60 -60.14 -46.02 91.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 109.346 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -66.79 -40.32 88.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.973 -1.079 . . . . 0.0 109.196 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.411 HD23 HD13 ' A' ' 28' ' ' LEU . 29.6 tp -61.11 -40.21 92.9 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.218 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.411 HD13 HD23 ' B' ' 27' ' ' LEU . 22.4 mt -60.08 -39.91 87.73 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.315 179.419 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.485 ' NH2' ' OE2' ' C' ' 97' ' ' GLU . 47.9 mtt-85 -60.05 -41.46 92.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 109.482 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.551 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.1 mt -60.86 -41.02 95.1 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.123 -0.986 . . . . 0.0 109.348 -179.542 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 82.1 p -65.54 -39.95 92.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.134 -0.979 . . . . 0.0 109.877 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.35 -40.12 85.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.323 -0.861 . . . . 0.0 109.107 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -60.04 -45.6 92.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.414 -0.803 . . . . 0.0 110.648 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -52.19 54.43 Favored Glycine 0 N--CA 1.489 2.227 0 C-N-CA 119.313 -1.422 . . . . 0.0 110.411 -179.251 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.55 -49.99 75.34 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.087 -1.243 . . . . 0.0 109.947 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.99 -40.13 88.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.273 -0.892 . . . . 0.0 109.554 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.584 HD21 HD21 ' A' ' 82' ' ' ASN . 41.3 t30 -60.02 -39.97 87.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.0 109.689 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.02 -40.15 88.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.988 . . . . 0.0 109.258 179.716 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.839 . . . . 0.0 109.385 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' C' ' 43' ' ' THR . 39.8 p -60.22 -40.42 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.021 -1.049 . . . . 0.0 108.565 179.678 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.815 ' NH2' HG21 ' A' ' 78' ' ' THR . 82.4 mtt180 -69.62 -36.62 76.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.351 -0.843 . . . . 0.0 108.838 178.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.88 -43.4 91.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.2 p -60.1 -40.01 88.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.853 -1.155 . . . . 0.0 108.625 178.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.5 87.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.264 -0.897 . . . . 0.0 108.883 179.013 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.32 -39.84 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.465 -0.772 . . . . 0.0 109.26 179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.415 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 13.5 mm-40 -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.795 -179.217 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.69 -43.71 98.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 109.56 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 50.4 m-85 -62.86 -40.05 96.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.09 -1.006 . . . . 0.0 109.603 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.92 -39.97 87.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 110.21 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.338 -1.476 . . . . 0.0 107.949 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.01 -38.93 84.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.569 -0.707 . . . . 0.0 109.255 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.63 -40.06 86.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.237 -179.44 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.15 83.3 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.036 -1.04 . . . . 0.0 108.43 179.67 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.195 -0.941 . . . . 0.0 109.503 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.24 116.13 11.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.869 -1.144 . . . . 0.0 108.677 179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 71.2 m-80 -133.41 -66.29 0.65 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.466 -0.771 . . . . 0.0 110.118 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.74 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.71 117.09 4.61 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 109.251 -179.43 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.758 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 83.5 m95 -98.37 125.74 43.62 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.211 -0.931 . . . . 0.0 110.811 -179.131 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 60.45 30.32 71.32 Favored Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.167 -1.016 . . . . 0.0 110.8 178.226 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.91 24.07 0.16 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.73 -1.453 . . . . 0.0 109.45 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.4 105.89 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -111.75 12.04 21.0 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.365 -0.834 . . . . 0.0 109.545 178.238 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.2 23.04 4.11 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -150.75 152.78 34.37 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.655 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -100.67 58.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.989 -1.069 . . . . 0.0 108.614 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 157.99 43.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -128.97 132.27 47.56 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.83 110.8 22.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.711 -1.243 . . . . 0.0 109.637 -179.095 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.74 122.81 46.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.671 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 75.8 t -127.18 83.7 65.33 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.363 -0.836 . . . . 0.0 109.585 -179.201 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.98 62.83 4.29 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.848 2.365 . . . . 0.0 110.862 178.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -68.61 129.82 92.34 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.353 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -42.47 147.56 0.54 Allowed 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.01 1.14 . . . . 0.0 110.682 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.0 t-20 -132.43 -36.5 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.342 -0.849 . . . . 0.0 109.556 -179.312 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -93.56 123.65 37.02 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.731 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -82.99 104.32 13.11 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 179.326 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 mt -81.58 136.55 35.57 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.49 0.662 . . . . 0.0 109.73 -177.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.838 HG21 ' NH2' ' B' ' 41' ' ' ARG . 0.6 OUTLIER -95.6 110.04 48.95 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.79 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -90.79 -49.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.579 1.519 . . . . 0.0 114.026 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -122.02 -44.02 2.31 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.243 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.687 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.4 p90 -59.95 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.38 -1.45 . . . . 0.0 113.495 -175.484 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.687 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.8 t-20 -79.7 -42.7 24.14 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.053 -1.655 . . . . 0.0 110.613 -178.059 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.99 -50.07 75.2 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.755 -178.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.5 -45.14 94.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.959 -1.088 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.421 HG23 ' O ' ' C' ' 81' ' ' TRP . 73.5 p -69.82 -40.04 76.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.018 -1.051 . . . . 0.0 109.807 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -62.93 -40.3 97.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 118.931 -1.107 . . . . 0.0 109.141 -179.751 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.19 -44.58 94.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.856 -1.152 . . . . 0.0 108.182 178.887 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.22 -40.06 92.61 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.15 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.12 -50.0 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.401 -0.812 . . . . 0.0 109.281 179.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.46 -41.82 97.81 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.328 -0.858 . . . . 0.0 109.497 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.46 -40.78 95.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.14 -0.975 . . . . 0.0 110.492 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.05 -41.36 92.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.879 -1.138 . . . . 0.0 109.571 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.85 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 179.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.1 -48.5 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -62.63 -40.96 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.861 -1.15 . . . . 0.0 109.911 -179.259 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 91.2 mt -68.93 -40.16 79.2 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.148 -0.97 . . . . 0.0 109.277 -179.646 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.51 ' OE1' ' NE2' ' C' ' 25' ' ' GLN . 52.1 tp10 -61.34 -45.74 93.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.196 -0.94 . . . . 0.0 109.229 179.323 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -48.91 79.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.281 -0.887 . . . . 0.0 109.737 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.572 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 40.0 t-20 -60.46 -43.43 96.92 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.084 -1.01 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.17 -45.1 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.117 -0.989 . . . . 0.0 109.586 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.6 p -60.76 -40.8 93.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 109.704 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.87 75.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.115 -0.991 . . . . 0.0 110.009 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.75 -42.05 96.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.045 . . . . 0.0 109.67 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.21 -46.31 90.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.069 -1.019 . . . . 0.0 109.397 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.12 -49.53 77.29 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.06 -1.025 . . . . 0.0 108.971 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -60.3 -43.61 96.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.335 -0.853 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.308 -0.87 . . . . 0.0 109.747 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.83 -40.66 96.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -0.968 . . . . 0.0 109.906 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.8 -43.18 82.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.074 -1.016 . . . . 0.0 109.158 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.0 -39.99 75.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.422 -0.799 . . . . 0.0 110.06 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -60.42 -45.44 93.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.212 -0.93 . . . . 0.0 108.713 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -47.55 85.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.489 -0.757 . . . . 0.0 109.817 179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -60.04 -43.64 95.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.211 -0.93 . . . . 0.0 109.911 -179.794 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.55 -47.72 84.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.989 -1.069 . . . . 0.0 109.155 -179.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.36 -39.95 92.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.25 -0.906 . . . . 0.0 109.042 179.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.14 -46.52 89.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.439 -0.788 . . . . 0.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -40.28 95.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.123 -0.985 . . . . 0.0 109.781 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.55 -41.4 94.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 108.931 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.0 mt-30 -61.76 -40.15 94.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.96 . . . . 0.0 109.825 179.684 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -59.91 -39.11 84.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 109.594 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.29 -46.31 88.9 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.75 60.96 1.09 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.593 -0.692 . . . . 0.0 109.591 178.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.9 p . . . . . 0 N--CA 1.494 1.764 0 O-C-N 121.075 -1.016 . . . . 0.0 109.076 179.314 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.58 HE21 ' NH2' ' A' ' 4' ' ' ARG . 1.9 mp0 -70.94 145.15 50.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.299 -0.876 . . . . 0.0 109.186 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.88 61.83 6.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.217 -0.927 . . . . 0.0 108.921 179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.58 ' NH2' HE21 ' A' ' 2' ' ' GLN . 18.7 mtt-85 -63.62 -40.0 95.78 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 6' ' ' LEU . 15.0 t -60.04 -44.96 94.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.451 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' A' ' 5' ' ' THR . 59.4 tp -63.41 -40.89 98.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.11 -39.93 94.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.459 -0.775 . . . . 0.0 110.139 179.528 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.03 87.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 -179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.72 71.65 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 178.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.09 -47.87 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.221 -1.164 . . . . 0.0 109.381 179.756 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.03 -45.49 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.023 -1.048 . . . . 0.0 108.918 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -60.94 -39.98 91.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 178.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.0 -42.37 94.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.102 -0.999 . . . . 0.0 109.405 -179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.59 -41.47 94.76 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.173 -0.954 . . . . 0.0 109.266 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.87 -41.14 97.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.329 -0.857 . . . . 0.0 108.949 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.68 -40.7 97.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.48 -40.46 95.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.277 -0.89 . . . . 0.0 109.282 179.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.62 -42.85 97.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.238 -0.914 . . . . 0.0 109.506 179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 52.7 t0 -60.02 -46.91 87.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.632 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.02 -39.99 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.073 -1.017 . . . . 0.0 109.752 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.08 -43.67 93.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.204 -0.935 . . . . 0.0 108.929 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.34 -40.53 91.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.627 -0.67 . . . . 0.0 109.253 179.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.509 -0.745 . . . . 0.0 109.87 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.06 88.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.981 -1.074 . . . . 0.0 109.244 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.02 -45.18 93.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.273 -0.892 . . . . 0.0 109.618 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.47 -40.0 89.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.025 . . . . 0.0 109.387 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.66 -40.05 95.82 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.33 -0.856 . . . . 0.0 108.837 179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.55 -40.22 90.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.452 -0.78 . . . . 0.0 109.522 179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.11 -40.28 89.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.046 -1.034 . . . . 0.0 109.484 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 87.2 mt -61.05 -41.55 96.82 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.009 -1.057 . . . . 0.0 109.424 179.612 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.27 -39.95 94.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.18 -40.56 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.839 . . . . 0.0 109.517 -179.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -60.02 -42.85 95.25 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.458 -0.776 . . . . 0.0 109.81 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.46 -47.29 91.88 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.164 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -60.08 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.057 -1.261 . . . . 0.0 109.977 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.83 -39.93 93.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.249 -0.907 . . . . 0.0 109.832 179.646 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.578 HD21 ' NH2' ' A' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.36 88.87 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.113 -0.992 . . . . 0.0 109.704 -179.76 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.1 -40.02 88.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.053 -1.029 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.02 -40.14 88.28 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.8 p -60.05 -41.26 91.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.941 -1.099 . . . . 0.0 108.816 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.714 HH12 ' ND2' ' B' ' 82' ' ' ASN . 31.3 mtt-85 -64.42 -40.07 95.05 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.82 -41.4 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.619 -0.675 . . . . 0.0 109.627 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 p -60.0 -40.56 89.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.022 -1.049 . . . . 0.0 109.601 -179.54 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.24 96.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.148 -0.97 . . . . 0.0 108.876 179.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.17 -39.87 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.673 -0.642 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' OE1' ' CD2' ' A' ' 77' ' ' LEU . 99.7 mt-10 -59.96 -40.5 89.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.115 -0.991 . . . . 0.0 109.085 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.88 -42.94 98.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.469 -0.77 . . . . 0.0 109.564 179.589 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 64.7 m-85 -68.71 -38.06 79.98 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.02 -39.74 86.9 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.73 -1.231 . . . . 0.0 108.73 179.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.89 -39.85 86.74 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.078 -1.014 . . . . 0.0 109.098 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.92 -40.01 87.39 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.926 -1.109 . . . . 0.0 108.97 -179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -59.11 -35.42 73.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.969 -1.082 . . . . 0.0 108.784 179.378 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.76 -39.52 77.58 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -76.11 117.11 17.48 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.165 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 18.3 m120 -132.11 -69.52 0.59 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.219 -0.926 . . . . 0.0 109.271 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.9 87.49 1.48 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.251 -0.905 . . . . 0.0 108.807 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -100.11 120.66 40.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.632 -0.668 . . . . 0.0 109.967 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 116.24 -5.38 19.72 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.89 177.34 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.78 25.15 0.27 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.951 1.876 . . . . 0.0 109.165 179.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.14 97.58 10.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 109.62 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 19.1 m-85 -102.65 7.73 39.8 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 31.9 mtt-85 -152.46 22.7 0.62 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.0 108.437 177.532 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.548 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.12 152.82 35.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.28 -0.887 . . . . 0.0 109.575 -179.599 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.77 60.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.19 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.73 159.47 44.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.352 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -119.85 133.65 55.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.64 -0.662 . . . . 0.0 109.314 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 68' ' ' THR . 8.9 t -97.88 121.41 39.77 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.265 -0.897 . . . . 0.0 110.106 -178.604 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 11.4 t -111.43 121.6 45.63 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 47.2 t -119.84 97.06 49.68 Favored Pre-proline 0 N--CA 1.499 1.988 0 O-C-N 121.392 -0.818 . . . . 0.0 108.948 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -82.77 68.12 7.66 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.272 1.982 . . . . 0.0 112.369 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.461 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 14.5 t90 -69.11 130.19 91.49 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' TRP . 67.3 Cg_exo -36.79 149.16 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.702 1.601 . . . . 0.0 111.287 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 6.7 t-20 -128.72 -59.56 1.13 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 108.912 -178.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.53 31.8 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.42 105.04 13.15 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 42.4 mt -80.97 134.59 35.73 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.425 0.631 . . . . 0.0 109.337 -178.555 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 78' ' ' THR . 11.0 t -89.98 115.74 64.69 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.37 -0.831 . . . . 0.0 108.881 179.816 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -90.74 -46.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.631 1.554 . . . . 0.0 114.396 -179.139 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.48 -43.02 2.52 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.36 -0.838 . . . . 0.0 113.096 -177.16 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.795 ' HE1' ' ND2' ' A' ' 82' ' ' ASN . 8.2 p90 -59.78 -57.89 10.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.237 -1.539 . . . . 0.0 112.621 -175.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.795 ' ND2' ' HE1' ' A' ' 81' ' ' TRP . 41.2 m-20 -79.02 -36.37 41.24 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 119.556 -1.965 . . . . 0.0 109.581 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.04 -49.54 77.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.124 -0.985 . . . . 0.0 109.502 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.24 -44.13 97.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.063 -1.023 . . . . 0.0 109.268 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' TRP . 67.8 p -67.84 -39.97 83.79 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.164 -0.96 . . . . 0.0 109.351 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -60.79 -40.95 94.55 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.903 -1.123 . . . . 0.0 109.189 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.0 -41.44 92.09 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.75 -1.219 . . . . 0.0 108.106 179.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.58 -40.43 94.75 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.051 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.493 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.1 t90 -60.01 -50.06 75.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.429 -0.794 . . . . 0.0 109.835 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -61.9 -42.04 98.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.074 -1.016 . . . . 0.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.66 -40.05 93.55 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.294 -0.879 . . . . 0.0 110.401 -179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.48 -43.83 96.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.698 -1.251 . . . . 0.0 108.71 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -41.69 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.953 179.395 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -59.98 -44.99 94.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.371 -0.831 . . . . 0.0 110.264 -179.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.754 -1.216 . . . . 0.0 109.237 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.98 -39.96 79.08 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 119.26 -0.976 . . . . 0.0 108.777 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.98 -49.17 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.22 -0.925 . . . . 0.0 108.559 178.875 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 101' ' ' THR . 86.3 tt0 -60.19 -42.07 94.29 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.46 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.6 -44.88 95.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.705 -179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -43.49 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.299 -0.876 . . . . 0.0 109.451 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 43.7 p -60.08 -41.74 93.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.084 -1.01 . . . . 0.0 109.425 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.67 80.75 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.206 -0.934 . . . . 0.0 109.089 179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.16 -44.49 94.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.33 -43.49 98.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.508 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -47.7 84.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.046 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.02 -44.96 94.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.85 . . . . 0.0 108.905 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.402 -0.811 . . . . 0.0 109.456 179.538 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -43.58 95.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.081 -1.012 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.01 -40.8 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 109.212 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.03 -39.95 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.384 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.15 -47.94 83.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 109.665 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.03 -42.6 94.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.09 -42.77 95.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.358 -0.838 . . . . 0.0 109.756 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.65 -44.48 96.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.056 -1.028 . . . . 0.0 109.657 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.54 -39.99 85.0 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.147 -0.971 . . . . 0.0 108.536 179.221 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.582 ' CE2' ' NZ ' ' A' ' 120' ' ' LYS . 64.8 t80 -60.06 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.576 -0.703 . . . . 0.0 109.167 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -39.92 88.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 108.887 179.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.468 -0.77 . . . . 0.0 109.414 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.1 mt-30 -60.01 -40.96 91.06 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.996 -1.065 . . . . 0.0 109.543 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.582 ' NZ ' ' CE2' ' A' ' 116' ' ' TYR . 31.9 mttp -60.69 -39.73 89.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.083 -1.011 . . . . 0.0 109.507 179.268 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.58 -46.46 88.88 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.74 61.49 1.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.629 -0.669 . . . . 0.0 109.423 179.041 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 118.054 -0.974 . . . . 0.0 108.857 179.428 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.198 0.523 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.583 HE21 ' NH2' ' B' ' 4' ' ' ARG . 1.9 mp0 -70.93 145.15 50.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.262 179.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.67 61.91 6.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.274 -0.891 . . . . 0.0 108.874 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.583 ' NH2' HE21 ' B' ' 2' ' ' GLN . 19.1 mtt-85 -63.67 -39.94 95.59 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.08 -45.05 94.2 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 109.533 179.81 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 59.9 tp -63.49 -40.24 96.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.971 -1.081 . . . . 0.0 109.04 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.71 -39.87 95.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.484 -0.76 . . . . 0.0 110.073 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.03 87.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.913 -1.117 . . . . 0.0 108.408 -179.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -45.71 72.34 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.94 -48.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -1.154 . . . . 0.0 109.449 179.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.93 -45.26 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.114 -0.991 . . . . 0.0 108.898 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -61.16 -40.01 92.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.0 109.827 179.27 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -59.94 -42.45 94.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.219 -0.925 . . . . 0.0 109.553 -179.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.28 -41.61 93.67 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.051 -1.03 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.8 -41.22 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.229 -0.92 . . . . 0.0 109.021 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.74 -40.76 98.23 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.115 -0.991 . . . . 0.0 109.335 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -40.58 96.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.103 -0.998 . . . . 0.0 109.362 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.55 -42.96 97.61 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.431 -0.793 . . . . 0.0 109.61 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -59.97 -46.85 88.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.157 -0.965 . . . . 0.0 110.138 -179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.03 -40.01 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.099 -1.001 . . . . 0.0 109.705 -179.408 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -44.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.279 -0.888 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.06 -40.3 89.0 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.648 -0.658 . . . . 0.0 109.257 179.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -61.55 -40.03 93.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.815 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.09 -40.05 88.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.986 -1.071 . . . . 0.0 109.221 179.467 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -60.03 -45.47 92.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.153 -0.967 . . . . 0.0 109.592 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.31 -40.11 89.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.038 . . . . 0.0 109.437 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.25 -40.4 96.04 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.277 -0.89 . . . . 0.0 108.891 179.293 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.49 -40.11 90.13 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.515 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.19 -40.34 89.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.086 -1.008 . . . . 0.0 109.493 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.524 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.9 mt -61.05 -41.38 96.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.078 -1.014 . . . . 0.0 109.452 179.623 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -64.62 -39.93 94.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.05 -40.64 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.514 -179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -59.94 -42.68 94.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 0.0 109.921 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -47.37 91.47 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.135 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.6 m -60.15 -50.03 75.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.029 -1.277 . . . . 0.0 109.975 -179.205 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.59 -40.05 93.38 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.094 -1.004 . . . . 0.0 109.737 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.56 HD21 ' NH2' ' B' ' 41' ' ' ARG . 49.3 t-20 -59.98 -40.48 89.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.0 109.655 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.073 -1.017 . . . . 0.0 109.222 -179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.98 -40.29 88.61 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.103 -0.998 . . . . 0.0 109.316 -179.597 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 49.6 p -59.88 -41.71 92.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.979 -1.076 . . . . 0.0 108.76 179.557 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.73 HH12 ' ND2' ' C' ' 82' ' ' ASN . 31.9 mtt-85 -64.08 -39.97 95.22 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.79 -41.3 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.661 -0.649 . . . . 0.0 109.731 -179.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 73.0 p -59.96 -40.53 89.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.896 -1.128 . . . . 0.0 109.663 -179.472 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.09 97.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 108.859 179.297 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -60.59 -39.36 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.737 -0.602 . . . . 0.0 109.741 179.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' OE1' ' CD2' ' B' ' 77' ' ' LEU . 99.7 mt-10 -60.18 -40.78 91.19 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.152 -0.968 . . . . 0.0 108.992 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -60.62 -42.91 97.83 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 109.861 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 63.6 m-85 -68.54 -38.29 80.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 109.841 179.869 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.0 -39.76 86.91 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.636 179.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.9 -40.06 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.915 -1.116 . . . . 0.0 108.209 178.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.98 -39.88 87.21 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.135 -0.978 . . . . 0.0 109.096 179.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -60.01 -39.92 87.47 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.126 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.35 -35.17 73.37 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.959 -1.088 . . . . 0.0 108.759 179.439 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.83 -39.38 77.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.25 117.06 17.55 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.284 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' B' ' 53' ' ' ALA . 17.7 m120 -131.94 -69.27 0.61 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.286 -0.884 . . . . 0.0 109.438 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.96 87.86 1.5 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.313 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -100.55 120.7 40.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.683 -0.636 . . . . 0.0 109.941 -179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 116.27 -5.29 19.71 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.834 177.406 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.34 25.52 0.31 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.99 1.895 . . . . 0.0 109.284 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.16 98.31 11.22 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.525 -0.734 . . . . 0.0 109.476 179.456 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 19.7 m-85 -103.45 7.97 37.93 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.003 -1.061 . . . . 0.0 109.685 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.492 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 32.4 mtt-85 -152.8 22.37 0.59 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.134 -0.979 . . . . 0.0 108.553 177.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.61 35.28 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 109.662 -179.576 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -108.46 60.44 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.276 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.08 159.84 43.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.566 -0.709 . . . . 0.0 109.505 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -120.04 133.34 55.56 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.638 -0.664 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 68' ' ' THR . 9.2 t -97.64 121.19 39.25 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 110.159 -178.677 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.54 ' O ' HG23 ' B' ' 69' ' ' THR . 11.3 t -111.07 121.83 46.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.687 -0.633 . . . . 0.0 109.293 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.437 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 47.1 t -119.75 97.16 49.78 Favored Pre-proline 0 N--CA 1.501 2.088 0 O-C-N 121.384 -0.823 . . . . 0.0 108.893 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.8 67.95 7.69 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.242 1.962 . . . . 0.0 112.299 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 14.2 t90 -68.85 130.34 91.73 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.4 Cg_exo -36.86 148.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.598 1.532 . . . . 0.0 111.525 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 6.3 t-20 -128.21 -59.67 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.295 -0.878 . . . . 0.0 109.039 -179.082 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.35 123.56 31.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -82.44 105.17 13.28 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD2' ' OE1' ' B' ' 46' ' ' GLU . 42.5 mt -80.89 134.89 35.82 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.534 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 78' ' ' THR . 10.9 t -90.34 115.78 64.86 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -90.86 -46.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 121.683 1.588 . . . . 0.0 114.377 -179.118 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -120.53 -43.64 2.49 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.3 -0.875 . . . . 0.0 113.127 -177.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.783 ' HE1' ' ND2' ' B' ' 82' ' ' ASN . 8.1 p90 -59.07 -58.32 9.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.258 -1.526 . . . . 0.0 112.74 -175.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.783 ' ND2' ' HE1' ' B' ' 81' ' ' TRP . 41.5 m-20 -78.84 -36.28 42.7 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 119.592 -1.942 . . . . 0.0 109.532 179.517 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.02 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.07 -1.019 . . . . 0.0 109.429 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.97 -44.31 97.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.953 -1.092 . . . . 0.0 109.22 179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.3 p -67.72 -40.01 84.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.972 -1.08 . . . . 0.0 109.466 179.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.6 t-105 -60.68 -40.67 93.02 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.183 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.05 -41.56 92.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.768 -1.207 . . . . 0.0 108.118 179.569 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.57 -40.32 94.33 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.373 -0.829 . . . . 0.0 108.777 179.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 57.9 t90 -60.01 -49.96 75.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.447 -0.783 . . . . 0.0 109.86 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.19 -41.93 98.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.352 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -61.65 -40.26 94.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.402 -0.811 . . . . 0.0 110.451 -179.662 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.33 -43.51 96.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.849 -1.157 . . . . 0.0 108.77 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.57 -41.6 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.247 -0.908 . . . . 0.0 108.886 179.442 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 52.1 t0 -59.92 -45.13 93.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 110.254 -179.446 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.52 -39.93 81.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.745 -1.222 . . . . 0.0 109.322 -179.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.73 -40.03 80.1 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.197 -1.001 . . . . 0.0 108.815 179.457 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -59.87 -49.27 78.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.065 -1.022 . . . . 0.0 108.643 178.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.412 ' O ' ' OG1' ' B' ' 101' ' ' THR . 86.2 tt0 -60.01 -42.8 95.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.82 . . . . 0.0 109.424 179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.07 -44.81 94.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.158 -0.964 . . . . 0.0 109.611 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -43.47 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.527 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 42.7 p -59.94 -41.77 92.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.382 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.37 81.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.171 179.542 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.71 -44.22 96.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.382 -0.824 . . . . 0.0 109.562 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.55 -43.45 98.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 -179.537 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.81 84.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.0 108.911 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -59.99 -45.02 94.09 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.251 -0.906 . . . . 0.0 108.989 179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.36 82.02 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.179 -0.951 . . . . 0.0 109.459 179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.41 -43.4 96.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.05 . . . . 0.0 110.059 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -69.15 -40.91 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.991 -1.068 . . . . 0.0 109.13 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -70.02 -39.94 75.5 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.453 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -60.1 -48.04 83.37 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.837 . . . . 0.0 109.556 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -42.59 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.244 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -59.93 -42.78 94.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.868 . . . . 0.0 109.74 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.68 -44.38 96.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.039 . . . . 0.0 109.691 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.61 -40.01 84.74 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.097 -1.002 . . . . 0.0 108.636 179.19 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.56 ' CE2' ' NZ ' ' B' ' 120' ' ' LYS . 64.5 t80 -60.06 -49.88 75.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.487 -0.758 . . . . 0.0 109.23 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.3 -39.97 88.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.026 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.99 -40.11 88.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.659 -0.651 . . . . 0.0 109.502 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -59.85 -41.03 90.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.035 -1.04 . . . . 0.0 109.586 179.813 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.56 ' NZ ' ' CE2' ' B' ' 116' ' ' TYR . 32.1 mttp -60.65 -39.45 88.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.027 . . . . 0.0 109.616 179.394 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.83 -46.2 90.02 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.99 61.27 1.35 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.531 -0.73 . . . . 0.0 109.207 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.109 -0.994 . . . . 0.0 108.84 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.592 HE21 ' NH2' ' C' ' 4' ' ' ARG . 1.9 mp0 -71.23 144.71 50.0 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 0.0 109.347 179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -88.27 62.08 6.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 109.02 179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.592 ' NH2' HE21 ' C' ' 2' ' ' GLN . 18.8 mtt-85 -63.74 -40.08 95.86 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.536 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -59.99 -45.31 93.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 109.477 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.536 ' N ' HG23 ' C' ' 5' ' ' THR . 59.6 tp -63.3 -40.65 97.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.012 -1.055 . . . . 0.0 108.912 179.777 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -62.35 -40.01 94.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.465 -0.772 . . . . 0.0 110.023 179.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.11 87.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.01 -1.057 . . . . 0.0 108.357 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.81 72.32 Favored Glycine 0 N--CA 1.486 2.019 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 178.71 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.98 -48.06 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.407 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.07 -45.14 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.996 -1.065 . . . . 0.0 108.842 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.16 -40.0 92.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.869 179.317 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -60.03 -42.11 93.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.113 -0.992 . . . . 0.0 109.535 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.58 -41.48 94.75 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.097 -1.002 . . . . 0.0 109.241 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.0 -41.2 97.79 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 108.945 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.75 -40.83 98.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.278 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.16 -40.4 96.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 0.0 109.405 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.65 -43.0 98.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.331 -0.855 . . . . 0.0 109.58 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.06 -46.7 88.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.273 -0.892 . . . . 0.0 110.045 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.01 -40.0 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.06 -1.025 . . . . 0.0 109.857 -179.362 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.02 -43.96 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.297 -0.877 . . . . 0.0 108.929 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.21 -40.18 89.19 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.484 0.659 . . . . 0.0 109.295 179.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -61.68 -39.96 93.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.428 -0.795 . . . . 0.0 109.816 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.18 -40.15 88.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.98 -1.075 . . . . 0.0 109.122 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.99 -45.28 93.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -0.81 . . . . 0.0 109.609 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.34 -40.31 89.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.074 -1.016 . . . . 0.0 109.328 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.17 -40.66 96.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.421 -0.8 . . . . 0.0 108.937 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.12 -40.36 89.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.511 -0.743 . . . . 0.0 109.49 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.91 -40.38 88.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.493 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 87.4 mt -61.21 -41.27 96.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.023 -1.048 . . . . 0.0 109.456 179.667 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.2 p -64.59 -40.03 94.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.0 109.644 -179.731 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.93 -40.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.469 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -59.97 -42.95 95.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 0.0 109.905 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.16 92.5 Favored Glycine 0 N--CA 1.488 2.1 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.23 -50.0 75.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.898 -1.354 . . . . 0.0 109.99 -179.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.73 -40.02 93.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 109.732 179.625 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 48.9 t-20 -59.98 -40.33 88.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 -179.697 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.14 -39.91 87.96 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.215 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.06 -40.21 88.69 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.325 -179.576 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 48.3 p -59.93 -41.6 92.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.868 -1.145 . . . . 0.0 108.791 179.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.756 HH12 ' ND2' ' A' ' 82' ' ' ASN . 31.1 mtt-85 -64.28 -39.94 94.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.051 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.57 -41.52 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.503 -0.748 . . . . 0.0 109.733 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.01 -40.19 88.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.948 -1.095 . . . . 0.0 109.567 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.29 98.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.139 -0.976 . . . . 0.0 108.881 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.15 -39.61 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.639 -0.663 . . . . 0.0 109.82 179.481 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.423 ' OE1' ' CD2' ' C' ' 77' ' ' LEU . 99.7 mt-10 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.215 -0.928 . . . . 0.0 109.011 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.51 -43.16 97.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.426 -0.796 . . . . 0.0 109.742 179.468 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 64.1 m-85 -68.44 -38.29 81.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 109.854 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.678 -1.264 . . . . 0.0 108.645 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.98 -39.96 87.49 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.006 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.82 87.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.103 -0.998 . . . . 0.0 109.072 179.548 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.95 -39.99 87.46 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.866 -1.147 . . . . 0.0 108.798 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.488 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -59.31 -35.24 73.44 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.004 -1.06 . . . . 0.0 108.775 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -57.67 -39.66 77.6 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 71.0 mt -75.89 117.1 17.27 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 53' ' ' ALA . 18.3 m120 -132.06 -69.32 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.227 -0.921 . . . . 0.0 109.367 -179.64 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.98 87.76 1.49 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.175 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -100.09 120.67 40.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.707 -0.621 . . . . 0.0 109.82 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 116.16 -5.42 19.86 Favored Glycine 0 N--CA 1.504 3.183 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.071 177.439 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.21 25.42 0.3 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 119.997 -1.884 . . . . 0.0 109.099 179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.55 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.21 97.49 10.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.589 179.734 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 19.4 m-85 -102.58 7.87 39.92 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.838 -1.163 . . . . 0.0 109.77 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.49 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 31.6 mtt-85 -152.69 22.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.998 -1.064 . . . . 0.0 108.495 177.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.54 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.56 152.28 33.88 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.397 -0.814 . . . . 0.0 109.653 -179.508 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.15 60.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.204 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.59 159.69 43.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 109.447 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -120.02 133.43 55.54 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.669 -0.644 . . . . 0.0 109.344 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.554 ' O ' HG23 ' C' ' 68' ' ' THR . 9.1 t -97.65 121.1 39.16 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 0.0 110.053 -178.601 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' C' ' 69' ' ' THR . 11.2 t -111.05 121.81 46.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.642 -0.661 . . . . 0.0 109.394 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.44 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 46.8 t -119.73 97.21 49.79 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.45 -0.781 . . . . 0.0 108.912 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.97 68.37 7.51 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.203 1.936 . . . . 0.0 112.28 -179.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.46 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 14.2 t90 -69.19 130.42 91.19 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 0.0 108.631 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' C' ' 72' ' ' TRP . 64.8 Cg_exo -36.87 149.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.621 1.547 . . . . 0.0 111.381 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 6.8 t-20 -128.54 -59.32 1.15 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 -179.031 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.8 123.72 32.26 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.185 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -82.74 104.91 13.33 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.423 ' CD2' ' OE1' ' C' ' 46' ' ' GLU . 42.1 mt -80.88 135.07 35.86 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.622 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' C' ' 78' ' ' THR . 10.9 t -90.52 115.88 65.15 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -90.85 -46.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 121.604 1.536 . . . . 0.0 114.396 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -120.25 -43.35 2.53 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.351 -0.843 . . . . 0.0 113.194 -177.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.778 ' HE1' ' ND2' ' C' ' 82' ' ' ASN . 8.5 p90 -59.58 -57.86 11.09 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.357 -1.465 . . . . 0.0 112.69 -175.803 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.778 ' ND2' ' HE1' ' C' ' 81' ' ' TRP . 41.4 m-20 -79.28 -36.13 40.24 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 119.581 -1.95 . . . . 0.0 109.447 179.541 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -49.95 75.64 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.123 -0.986 . . . . 0.0 109.504 -179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.91 -44.3 97.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.237 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 81' ' ' TRP . 62.7 p -67.77 -39.99 84.07 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.908 -1.12 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -60.58 -40.84 93.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.859 -1.151 . . . . 0.0 109.347 -179.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -60.01 -41.68 92.68 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 120.765 -1.209 . . . . 0.0 108.125 179.316 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.49 -40.39 94.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 108.828 179.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.524 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 57.9 t90 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.509 -0.744 . . . . 0.0 109.708 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.25 -41.51 98.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.131 -0.98 . . . . 0.0 109.529 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -61.94 -40.34 95.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.02 -43.96 94.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.869 -1.145 . . . . 0.0 108.705 179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.38 -41.4 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.913 . . . . 0.0 108.965 179.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 51.6 t0 -60.09 -44.89 94.48 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.364 -0.835 . . . . 0.0 110.307 -179.432 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.59 -40.1 80.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.841 -1.162 . . . . 0.0 109.213 -179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.87 -40.08 79.49 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.726 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.99 -49.16 78.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.086 -1.009 . . . . 0.0 108.599 178.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' C' ' 101' ' ' THR . 86.4 tt0 -60.12 -42.65 95.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.365 -0.834 . . . . 0.0 109.311 179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.99 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.644 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.04 -43.47 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.84 . . . . 0.0 109.572 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 43.3 p -59.98 -41.94 93.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.418 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.41 81.81 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 109.176 179.5 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -44.35 96.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.18 -43.58 98.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 -179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -47.74 84.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.055 179.861 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.05 -45.03 94.22 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.271 -0.893 . . . . 0.0 108.922 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.62 80.95 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.99 -43.92 94.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.111 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -68.81 -40.84 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.067 -1.021 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -70.01 -40.02 75.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.176 -0.952 . . . . 0.0 109.422 179.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -60.01 -48.06 83.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.88 . . . . 0.0 109.548 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -42.71 94.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.158 -0.964 . . . . 0.0 109.3 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -60.05 -42.72 95.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.643 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.61 -44.57 95.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.768 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.47 -40.02 85.3 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.167 -0.958 . . . . 0.0 108.475 179.211 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.567 ' CE2' ' NZ ' ' C' ' 120' ' ' LYS . 64.7 t80 -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.598 -0.689 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.27 -39.94 88.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.917 . . . . 0.0 108.902 178.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.03 -39.97 87.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.556 -0.715 . . . . 0.0 109.357 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.1 mt-30 -59.99 -41.39 91.95 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.055 -1.028 . . . . 0.0 109.549 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.567 ' NZ ' ' CE2' ' C' ' 116' ' ' TYR . 31.7 mttp -60.03 -39.74 86.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 109.819 179.074 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -126.79 61.27 1.34 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.602 -0.686 . . . . 0.0 109.377 179.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.524 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.099 -1.001 . . . . 0.0 109.006 179.475 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.17 144.82 51.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -88.07 61.84 6.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 108.748 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HG3' HH11 ' A' ' 4' ' ' ARG . 28.4 mtm-85 -61.86 -40.03 93.93 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.322 -0.861 . . . . 0.0 109.311 179.849 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.35 -42.81 99.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.236 -0.915 . . . . 0.0 109.658 179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -66.47 -40.02 89.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.781 -1.2 . . . . 0.0 108.564 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.01 -39.97 95.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.528 -0.733 . . . . 0.0 109.323 179.082 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.03 87.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 108.604 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -48.05 50.4 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -48.98 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -1.094 . . . . 0.0 109.012 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.97 -45.2 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.009 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -40.02 88.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.142 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 4.1 tp-100 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -60.97 -40.72 94.5 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.001 -1.062 . . . . 0.0 109.082 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.77 -42.83 98.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.4 mt-30 -62.79 -41.48 99.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.57 179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.12 -41.64 99.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.284 -0.885 . . . . 0.0 109.535 179.655 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -42.56 94.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.96 -49.17 78.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.413 -0.804 . . . . 0.0 109.736 -179.605 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.6 t -60.14 -40.3 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.981 -1.075 . . . . 0.0 109.536 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.01 -42.62 90.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.41 -40.18 96.49 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.181 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.67 -40.82 93.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.862 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.26 -39.9 88.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 109.141 179.349 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.797 . . . . 0.0 109.598 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.85 -40.11 91.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.071 -1.018 . . . . 0.0 109.284 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.07 -40.03 94.07 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.217 -0.927 . . . . 0.0 109.193 179.753 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.65 -40.01 90.44 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.309 -0.87 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.31 -40.82 91.9 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.112 -0.993 . . . . 0.0 109.458 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.5 mt -62.22 -40.85 97.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 109.853 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -64.05 -40.03 95.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.235 -0.916 . . . . 0.0 109.621 -179.629 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.91 -39.99 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.213 -0.929 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.504 -0.748 . . . . 0.0 109.971 -179.879 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.486 1.971 0 C-N-CA 119.443 -1.36 . . . . 0.0 109.97 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.011 -1.288 . . . . 0.0 109.811 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.62 -40.02 95.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.929 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.785 HD21 HH21 ' A' ' 41' ' ' ARG . 40.1 t30 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.87 -40.47 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.085 -1.009 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.11 -42.18 94.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.141 -0.974 . . . . 0.0 110.069 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -59.98 -40.0 87.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.082 -1.011 . . . . 0.0 108.427 -179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.785 HH21 HD21 ' A' ' 37' ' ' ASN . 35.7 mtt-85 -66.99 -39.97 87.26 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.126 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -41.88 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.7 p -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.24 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 108.74 179.091 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.7 mt -61.34 -39.26 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.592 -0.693 . . . . 0.0 109.545 179.25 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -40.03 87.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -0.978 . . . . 0.0 108.936 -178.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.0 -45.85 91.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.3 m-85 -61.14 -40.03 92.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.256 -0.902 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.96 -40.58 89.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.562 -1.336 . . . . 0.0 109.263 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.39 -39.98 89.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.471 -1.393 . . . . 0.0 108.68 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.07 -37.86 81.13 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.79 -40.03 86.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 109.004 -179.836 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -59.21 -39.02 81.35 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.926 -1.109 . . . . 0.0 108.535 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.399 -0.813 . . . . 0.0 110.061 -179.621 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.5 mt -75.66 116.99 16.95 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.662 -1.274 . . . . 0.0 108.642 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.741 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.5 m-80 -132.29 -58.43 0.94 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.583 -0.698 . . . . 0.0 110.043 -179.318 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -157.33 117.03 3.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.279 -0.888 . . . . 0.0 110.206 -179.019 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.717 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 75.4 m95 -100.38 122.73 43.61 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.336 -0.852 . . . . 0.0 110.716 -179.639 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.01 25.97 72.22 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 120.141 -1.028 . . . . 0.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.49 22.75 0.16 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.464 -1.61 . . . . 0.0 109.089 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.22 115.51 2.61 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 109.62 179.226 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.21 11.99 14.27 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.491 -0.756 . . . . 0.0 110.269 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' C' ' 63' ' ' ARG . 67.4 mtm180 -135.39 24.69 3.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.574 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -143.34 152.36 41.53 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.179 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -102.84 56.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.589 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.0 158.36 40.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.626 -0.671 . . . . 0.0 109.682 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -128.78 134.36 48.37 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.463 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -90.43 110.35 21.46 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.628 -1.295 . . . . 0.0 109.612 -178.887 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 69' ' ' THR . 5.5 t -115.38 119.59 36.78 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.741 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 75.6 t -118.79 87.11 31.99 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.603 -0.686 . . . . 0.0 109.247 -179.531 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -86.81 58.47 3.78 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.455 2.104 . . . . 0.0 111.682 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 27.4 t90 -70.16 132.06 88.4 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.469 -0.769 . . . . 0.0 108.932 179.797 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 66.7 Cg_exo -40.06 147.53 0.2 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.177 1.251 . . . . 0.0 110.802 179.356 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.1 t-20 -131.21 7.1 4.58 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.172 -0.955 . . . . 0.0 109.207 -178.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.79 8.96 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.98 105.63 12.35 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.768 -1.207 . . . . 0.0 107.85 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -80.14 135.85 36.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.524 0.678 . . . . 0.0 109.846 -178.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 6.1 t -92.47 114.41 62.29 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 109.479 179.838 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.24 -49.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.662 1.574 . . . . 0.0 114.12 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -122.63 -42.87 2.3 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -176.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.83 -49.25 78.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.202 -1.561 . . . . 0.0 112.067 -175.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.654 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 60.2 t30 -70.19 -43.93 69.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.262 -1.524 . . . . 0.0 110.017 -179.816 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.481 HD21 ' NE2' ' A' ' 87' ' ' GLN . 55.9 t30 -60.31 -50.04 75.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 0.0 110.324 -179.043 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.81 -43.03 99.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.918 -1.114 . . . . 0.0 109.595 -179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.1 p -69.88 -39.94 75.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.279 -0.888 . . . . 0.0 109.586 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.46 -39.96 85.34 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.862 -1.148 . . . . 0.0 109.067 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.481 ' NE2' HD21 ' A' ' 83' ' ' ASN . 86.9 mt-30 -60.09 -42.72 95.25 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.859 -1.151 . . . . 0.0 108.951 179.406 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.1 -40.65 90.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.177 -0.952 . . . . 0.0 108.649 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.5 t90 -60.04 -50.04 75.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.535 -0.728 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.59 -41.25 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.0 109.688 179.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.95 -41.23 97.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.13 -0.981 . . . . 0.0 110.479 -179.808 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.29 -41.61 93.71 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.932 -1.105 . . . . 0.0 109.12 179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.9 -40.44 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.451 -0.78 . . . . 0.0 109.308 179.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.54 -40.03 95.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.374 -0.829 . . . . 0.0 110.584 -179.214 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.04 -40.07 78.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.695 -1.253 . . . . 0.0 109.647 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.01 -40.03 83.08 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.606 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.92 -46.3 89.82 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.39 -0.819 . . . . 0.0 109.63 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.26 -39.96 93.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.008 -1.057 . . . . 0.0 109.634 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -63.56 -40.02 95.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.681 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.03 -40.19 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.201 -0.937 . . . . 0.0 109.553 -179.584 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.8 p -63.38 -42.27 98.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.976 . . . . 0.0 109.397 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.04 79.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 0.0 109.331 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.424 -0.797 . . . . 0.0 109.554 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.09 -43.01 95.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.137 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -46.76 88.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.224 -0.923 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.05 -40.13 90.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.221 -0.924 . . . . 0.0 109.03 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.34 94.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -0.865 . . . . 0.0 109.353 179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -59.9 -47.72 84.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.184 -0.947 . . . . 0.0 109.399 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.13 -49.24 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.403 -0.81 . . . . 0.0 109.29 179.302 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -64.61 -40.15 94.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.83 -179.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.28 -47.26 86.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.734 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.28 -40.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.878 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -66.83 -39.93 87.81 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.208 -0.932 . . . . 0.0 109.367 179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.15 -42.13 98.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.841 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.66 -40.0 76.7 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.057 -1.027 . . . . 0.0 108.926 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -60.86 -43.21 98.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.42 -0.8 . . . . 0.0 109.167 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.21 -39.96 92.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.053 -1.029 . . . . 0.0 109.708 179.57 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.07 -41.11 91.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.076 -1.015 . . . . 0.0 108.799 179.756 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.4 mt-30 -60.69 -40.04 90.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.403 -0.811 . . . . 0.0 109.722 179.53 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -60.02 -39.49 86.04 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 0.0 109.517 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.71 -46.63 86.91 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.33 62.69 1.52 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.546 -0.721 . . . . 0.0 109.264 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.935 179.487 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.88 144.39 52.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.244 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -87.67 61.97 6.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 0.0 108.74 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 4' ' ' ARG . 28.6 mtm-85 -62.05 -40.08 94.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.479 -0.763 . . . . 0.0 109.289 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -43.14 99.34 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.028 -1.045 . . . . 0.0 109.67 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.4 -39.98 89.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.842 -1.161 . . . . 0.0 108.559 179.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.94 -39.88 95.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.438 -0.789 . . . . 0.0 109.316 178.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.17 88.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.13 -0.981 . . . . 0.0 108.597 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.9 -47.78 52.69 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 178.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -48.92 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -1.167 . . . . 0.0 109.131 179.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.01 -45.22 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 108.871 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.35 -40.09 89.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.141 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.423 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 4.1 tp-100 -60.06 -40.97 91.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.366 -0.834 . . . . 0.0 109.618 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.85 -41.03 95.07 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.111 -0.993 . . . . 0.0 109.129 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -42.91 96.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.392 -0.818 . . . . 0.0 109.327 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.423 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.3 mt-30 -62.63 -41.57 99.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 109.629 179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -41.54 99.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.545 179.69 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.12 -42.57 95.07 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.354 -0.841 . . . . 0.0 108.812 179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.07 -49.11 78.93 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.379 -0.826 . . . . 0.0 109.706 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.401 HG11 HG11 ' C' ' 21' ' ' VAL . 83.8 t -60.12 -40.43 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 120.992 -1.067 . . . . 0.0 109.511 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.03 -42.53 90.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.19 -0.944 . . . . 0.0 108.471 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -63.42 -40.25 96.68 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.59 -40.88 93.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.882 . . . . 0.0 109.291 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.16 -40.01 88.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.857 . . . . 0.0 109.168 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -60.04 -44.82 94.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.0 109.587 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.9 -40.06 91.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.012 -1.055 . . . . 0.0 109.391 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.12 -39.93 93.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.257 -0.902 . . . . 0.0 109.313 179.706 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.6 -40.07 90.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.369 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.55 -40.03 90.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.156 -0.965 . . . . 0.0 109.478 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.2 mt -62.96 -40.41 97.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.09 -1.006 . . . . 0.0 109.909 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.8 p -64.18 -40.1 95.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -0.924 . . . . 0.0 109.602 -179.663 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.87 -40.15 84.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.399 -0.813 . . . . 0.0 109.181 179.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -59.9 -45.25 93.14 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.0 110.067 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.21 94.54 Favored Glycine 0 N--CA 1.486 2.017 0 C-N-CA 119.492 -1.337 . . . . 0.0 109.955 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.8 m -60.48 -49.94 75.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.254 . . . . 0.0 109.814 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.49 -39.98 95.21 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.151 -0.968 . . . . 0.0 110.083 179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.791 HD21 HH21 ' B' ' 41' ' ' ARG . 40.2 t30 -60.01 -41.2 91.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.166 -0.959 . . . . 0.0 109.997 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.013 . . . . 0.0 110.009 -179.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.33 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.104 -0.997 . . . . 0.0 109.925 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' B' ' 43' ' ' THR . 72.7 p -60.05 -40.03 88.01 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.045 -1.034 . . . . 0.0 108.405 -179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.791 HH21 HD21 ' B' ' 37' ' ' ASN . 37.2 mtt-85 -66.9 -39.97 87.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -41.85 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 179.398 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 40' ' ' THR . 47.5 p -60.12 -39.93 87.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.088 -1.008 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.19 94.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.088 -1.008 . . . . 0.0 108.626 179.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.4 -39.11 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.643 -0.661 . . . . 0.0 109.609 179.319 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.14 88.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 108.901 -178.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.0 -45.67 91.97 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.429 -0.794 . . . . 0.0 108.995 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.0 m-85 -61.22 -40.06 92.59 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 0.0 110.224 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.88 -40.43 88.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.657 -1.277 . . . . 0.0 109.447 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.66 -39.93 90.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.477 -1.389 . . . . 0.0 108.702 178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -38.2 81.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.43 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.42 -40.07 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.158 -0.964 . . . . 0.0 109.137 -179.892 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.08 -38.97 80.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.802 -1.186 . . . . 0.0 108.492 178.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.13 -39.91 87.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 110.065 -179.539 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 51.3 mt -75.77 116.86 16.91 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 108.684 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.75 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.4 m-80 -132.17 -58.27 0.95 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.474 -0.766 . . . . 0.0 110.08 -179.291 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.717 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -157.4 116.82 3.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.224 -0.923 . . . . 0.0 110.232 -178.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.674 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 76.3 m95 -100.01 122.82 43.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.391 -0.818 . . . . 0.0 110.742 -179.813 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.81 26.0 72.01 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.06 178.02 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.32 22.48 0.16 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.602 -1.528 . . . . 0.0 109.134 -179.748 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.94 115.15 2.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.146 -0.971 . . . . 0.0 109.577 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.11 12.45 14.5 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.506 -0.746 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.453 ' CG ' ' NH2' ' C' ' 63' ' ' ARG . 67.2 mtm180 -135.85 24.36 3.35 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.501 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.09 152.32 41.72 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -179.303 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.8 t -102.78 56.22 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.09 158.55 40.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.661 -0.649 . . . . 0.0 109.644 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.23 134.14 47.85 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -90.29 110.5 21.56 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.674 -1.266 . . . . 0.0 109.661 -178.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.518 ' O ' HG23 ' B' ' 69' ' ' THR . 5.4 t -115.56 119.69 36.99 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.75 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 73.6 t -118.9 87.1 32.6 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.602 -0.687 . . . . 0.0 109.184 -179.55 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.71 58.53 3.87 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.511 2.141 . . . . 0.0 111.712 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.473 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 26.6 t90 -70.24 132.14 88.21 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.473 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 71.0 Cg_exo -40.17 147.58 0.21 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.067 1.178 . . . . 0.0 110.9 179.241 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.95 4.56 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.376 -0.828 . . . . 0.0 109.267 -178.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.63 8.88 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -80.9 105.39 12.09 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.792 -1.193 . . . . 0.0 107.914 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.68 135.91 36.66 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.458 0.647 . . . . 0.0 109.987 -178.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 78' ' ' THR . 6.0 t -92.43 114.45 62.39 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.553 -0.717 . . . . 0.0 109.489 179.73 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.21 -49.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.077 0 C-N-CA 121.611 1.541 . . . . 0.0 114.088 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.39 -42.91 2.32 Favored 'General case' 0 N--CA 1.509 2.508 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -176.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.653 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.0 p90 -59.66 -49.24 78.52 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.296 -1.503 . . . . 0.0 112.103 -175.662 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.653 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 59.8 t30 -70.21 -44.05 69.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.272 -1.517 . . . . 0.0 109.929 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.466 HD21 ' NE2' ' B' ' 87' ' ' GLN . 55.7 t30 -60.18 -50.07 75.13 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.181 -0.95 . . . . 0.0 110.321 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.54 -43.05 99.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.046 -1.034 . . . . 0.0 109.691 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.206 -0.933 . . . . 0.0 109.526 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 39.5 t-105 -67.29 -40.09 86.06 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 120.904 -1.123 . . . . 0.0 109.175 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' B' ' 83' ' ' ASN . 87.2 mt-30 -60.09 -42.45 94.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.906 -1.121 . . . . 0.0 109.043 179.286 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.4 -40.8 92.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.125 -0.985 . . . . 0.0 108.533 179.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.1 t90 -60.04 -49.87 75.96 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.461 -0.774 . . . . 0.0 109.16 179.472 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.57 -41.79 97.9 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 179.821 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.39 -41.22 96.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.215 -0.928 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.48 -41.37 94.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.888 -1.132 . . . . 0.0 109.203 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.99 -40.22 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.384 -0.823 . . . . 0.0 109.281 179.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.64 -40.07 95.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 110.606 -179.199 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.26 -39.95 78.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.738 -1.226 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.93 -40.09 83.38 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.111 -0.993 . . . . 0.0 108.646 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.02 -46.04 90.81 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.301 -0.874 . . . . 0.0 109.666 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.41 -39.98 92.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.505 -179.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -63.71 -39.98 95.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 109.806 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.95 -40.25 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.233 -0.917 . . . . 0.0 109.516 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 53.4 p -63.37 -41.79 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.115 -0.991 . . . . 0.0 109.55 179.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.13 78.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.225 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.97 -46.12 90.48 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.45 -0.781 . . . . 0.0 109.531 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.07 -43.04 95.75 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -46.78 88.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.2 -40.11 90.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 0.0 108.993 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.289 -0.882 . . . . 0.0 109.454 179.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -60.06 -47.85 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.252 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.73 82.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.343 -0.848 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.67 -40.63 97.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.344 -0.847 . . . . 0.0 109.915 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -59.97 -47.4 85.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.192 -0.942 . . . . 0.0 109.889 -179.795 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.19 -40.02 90.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.856 -179.821 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.94 -39.98 87.45 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.195 -0.941 . . . . 0.0 109.341 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.43 99.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.143 -0.973 . . . . 0.0 109.921 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.7 ttt -69.48 -39.98 77.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.086 -1.009 . . . . 0.0 109.098 179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.88 -43.27 98.68 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.402 -0.812 . . . . 0.0 109.146 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.04 -40.03 92.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.138 -0.976 . . . . 0.0 109.74 179.598 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 108.879 179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.5 mt-30 -61.05 -40.02 92.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 0.0 109.691 179.588 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -59.94 -39.4 85.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.305 -0.872 . . . . 0.0 109.466 -179.153 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 121' ' ' LEU . 96.7 mt -58.84 -46.54 87.46 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -129.42 62.77 1.52 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.555 -0.715 . . . . 0.0 109.152 178.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.961 179.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.292 0.567 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -69.99 144.7 52.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.132 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.07 61.79 6.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.192 -0.942 . . . . 0.0 108.77 179.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' C' ' 4' ' ' ARG . 28.6 mtm-85 -61.86 -39.97 93.71 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.446 -0.784 . . . . 0.0 109.239 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.437 ' H ' HG22 ' C' ' 5' ' ' THR . 0.0 OUTLIER -61.21 -43.19 99.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.177 -0.952 . . . . 0.0 109.658 179.896 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.24 -40.14 90.0 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.786 -1.196 . . . . 0.0 108.529 179.449 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.72 -40.06 95.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.399 179.02 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.193 -0.942 . . . . 0.0 108.639 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -48.1 49.83 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.95 -49.1 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 0.0 109.099 179.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.03 -45.19 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 108.842 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.2 -40.09 88.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.0 109.21 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 4.1 tp-100 -59.97 -40.98 90.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.865 . . . . 0.0 109.721 -179.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.82 -41.09 95.03 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.987 -1.07 . . . . 0.0 109.094 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.33 -43.08 96.75 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.292 -0.88 . . . . 0.0 109.241 179.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.3 mt-30 -62.54 -41.71 99.06 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 109.535 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.97 -41.6 99.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -0.888 . . . . 0.0 109.567 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.96 -42.73 94.72 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.273 -0.892 . . . . 0.0 108.751 179.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -59.98 -48.9 79.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.845 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -60.35 -40.36 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.955 -1.091 . . . . 0.0 109.454 -179.592 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 20' ' ' VAL . 53.2 t -60.07 -42.44 89.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.56 -40.21 96.39 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.188 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -60.63 -41.03 94.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.307 -0.87 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.06 -39.95 87.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.273 -0.892 . . . . 0.0 109.087 179.308 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -60.04 -44.82 94.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 109.649 -179.591 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.98 -40.13 90.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.136 -0.977 . . . . 0.0 109.124 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.86 -39.97 94.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.128 -0.983 . . . . 0.0 109.292 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.82 -40.05 91.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.351 -0.843 . . . . 0.0 109.385 179.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.51 -40.05 90.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.06 -1.025 . . . . 0.0 109.501 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.536 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 92.3 mt -63.02 -40.24 97.16 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.167 -0.958 . . . . 0.0 109.859 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.1 p -64.5 -40.04 94.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.091 -1.006 . . . . 0.0 109.428 -179.613 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.8 -40.03 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.35 -0.844 . . . . 0.0 109.305 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -59.89 -45.21 93.24 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.417 -0.802 . . . . 0.0 110.065 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -46.74 93.58 Favored Glycine 0 N--CA 1.485 1.915 0 C-N-CA 119.476 -1.345 . . . . 0.0 109.951 -179.657 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.4 m -60.06 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.245 . . . . 0.0 109.877 -179.53 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -40.0 95.35 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.122 -0.987 . . . . 0.0 110.065 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' C' ' 41' ' ' ARG . 40.2 t30 -60.06 -40.81 90.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.22 -0.925 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.02 -40.36 95.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.955 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.14 -42.24 94.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.045 -1.034 . . . . 0.0 109.971 -179.537 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 72.1 p -60.05 -40.16 88.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 108.477 -179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' C' ' 37' ' ' ASN . 36.3 mtt-85 -66.9 -39.96 87.57 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.07 -42.02 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.4 p -59.93 -40.09 87.73 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.011 -1.056 . . . . 0.0 109.219 179.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.141 -0.974 . . . . 0.0 108.732 179.205 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.37 -39.21 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.581 -0.699 . . . . 0.0 109.615 179.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.06 87.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 108.863 -178.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.02 -45.89 91.29 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 35.8 m-85 -60.94 -40.1 91.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.364 -0.835 . . . . 0.0 110.273 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -40.74 90.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.527 -1.358 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -60.27 -40.06 89.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.45 -1.406 . . . . 0.0 108.616 178.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.94 -38.37 82.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.22 -39.95 84.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.043 -179.841 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.2 -39.04 81.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.858 -1.151 . . . . 0.0 108.484 179.073 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.02 -40.04 87.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.51 -0.744 . . . . 0.0 109.929 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 51.9 mt -75.73 116.74 16.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.717 -1.239 . . . . 0.0 108.698 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.736 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 68.4 m-80 -131.96 -58.49 0.96 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.513 -0.742 . . . . 0.0 110.138 -179.307 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.674 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -157.18 117.14 3.46 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.0 110.126 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.682 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 75.2 m95 -100.21 122.76 43.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.269 -0.894 . . . . 0.0 110.718 -179.699 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.96 25.96 72.16 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.021 178.071 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.41 22.7 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.457 -1.613 . . . . 0.0 109.086 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.16 115.51 2.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.0 109.522 179.298 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -117.47 12.21 14.1 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 179.422 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.453 ' NH2' ' CG ' ' B' ' 63' ' ' ARG . 67.6 mtm180 -135.61 24.66 3.42 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.504 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -143.36 152.26 41.4 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.308 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -102.69 56.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.571 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.01 158.62 40.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.599 -0.688 . . . . 0.0 109.634 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -129.16 134.08 47.87 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.568 ' O ' HG23 ' C' ' 68' ' ' THR . 6.2 t -90.06 110.57 21.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.623 -1.298 . . . . 0.0 109.696 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.511 ' O ' HG23 ' C' ' 69' ' ' THR . 5.3 t -115.56 119.26 35.57 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.736 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 75.4 t -118.47 87.29 30.58 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.597 -0.689 . . . . 0.0 109.199 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.77 58.8 3.87 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.516 2.144 . . . . 0.0 111.558 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.476 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.7 t90 -70.54 132.18 87.63 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 121.364 -0.835 . . . . 0.0 108.837 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.476 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 69.4 Cg_exo -40.14 147.61 0.2 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.079 1.186 . . . . 0.0 110.947 179.26 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.1 t-20 -131.24 6.92 4.55 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 -178.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.35 123.9 9.08 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.1 t -81.17 105.22 12.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.65 135.96 36.69 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.512 0.673 . . . . 0.0 109.96 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -92.43 114.43 62.33 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.523 -0.736 . . . . 0.0 109.477 179.707 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.29 -48.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.486 1.062 0 C-N-CA 121.644 1.563 . . . . 0.0 114.17 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -122.52 -43.01 2.3 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.0 p90 -59.72 -49.0 79.43 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.247 -1.533 . . . . 0.0 112.124 -175.625 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 60.0 t30 -70.41 -44.07 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.223 -1.548 . . . . 0.0 109.887 -179.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.467 HD21 ' NE2' ' C' ' 87' ' ' GLN . 56.2 t30 -60.11 -50.12 74.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.29 -0.881 . . . . 0.0 110.417 -178.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.881 -1.137 . . . . 0.0 109.64 -179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p -69.84 -39.98 76.09 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.147 -0.971 . . . . 0.0 109.509 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -67.45 -39.98 85.37 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 118.92 -1.112 . . . . 0.0 109.168 -179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' C' ' 83' ' ' ASN . 87.3 mt-30 -60.08 -42.45 94.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.834 -1.166 . . . . 0.0 109.026 179.185 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.31 -40.88 92.09 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.062 -1.024 . . . . 0.0 108.686 179.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.6 t90 -60.01 -50.11 75.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.391 -0.818 . . . . 0.0 109.144 179.404 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.52 -40.82 96.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 109.673 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.53 -40.67 97.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 0.0 110.457 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.99 -41.21 96.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.906 -1.121 . . . . 0.0 109.087 179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.93 -40.35 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.4 -0.812 . . . . 0.0 109.332 179.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.51 -39.97 95.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.355 -0.841 . . . . 0.0 110.647 -179.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -69.3 -40.08 77.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.708 -1.245 . . . . 0.0 109.54 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.79 -39.99 83.97 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.377 -0.929 . . . . 0.0 108.709 179.639 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.06 -46.22 90.29 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 109.64 179.762 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.14 -39.94 93.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.067 -1.021 . . . . 0.0 109.562 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -63.9 -40.05 95.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.154 -0.966 . . . . 0.0 109.728 -179.618 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.0 -40.1 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.163 -0.96 . . . . 0.0 109.432 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 54.5 p -63.63 -41.91 98.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.989 -1.069 . . . . 0.0 109.448 179.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.03 79.19 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.152 -0.967 . . . . 0.0 109.255 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -46.15 90.45 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.408 -0.807 . . . . 0.0 109.531 -179.796 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.0 -43.06 95.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.0 109.131 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.04 -46.8 88.34 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.154 -0.966 . . . . 0.0 109.218 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.05 -40.05 90.62 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.151 -0.968 . . . . 0.0 108.999 179.76 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.66 -45.16 95.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.205 -0.935 . . . . 0.0 109.417 179.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.02 -47.88 84.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.239 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.97 -49.67 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.281 -0.887 . . . . 0.0 109.26 179.334 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -63.86 -40.54 96.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 -179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.06 -47.18 86.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.56 -39.89 88.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -66.93 -39.95 87.46 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.194 -0.941 . . . . 0.0 109.274 179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -61.94 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.163 -0.961 . . . . 0.0 109.78 -179.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.6 ttt -69.66 -39.99 76.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.021 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -60.94 -43.21 98.97 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.033 179.764 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -39.96 92.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.101 -1.0 . . . . 0.0 109.724 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.02 -41.16 91.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.664 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.5 mt-30 -60.9 -40.08 91.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.0 109.583 179.766 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.97 -38.51 82.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 109.772 -179.311 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 121' ' ' LEU . 96.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -129.17 63.06 1.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.63 -0.669 . . . . 0.0 109.297 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.518 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 p . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 117.92 -1.038 . . . . 0.0 108.862 179.42 . . . . . . . . 1 1 . 1 stop_ save_