data_2jvx_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 2jvx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' HD21 ' A' ' 19' ' ' LEU . 99.1 m-85 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.204 -0.665 . . . . 0.98999999999999999 109.204 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 2.4500000000000002 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89000000000000001 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.77 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.67000000000000004 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.7400000000000002 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.95999999999999996 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.7999999999999998 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 1.0600000000000001 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 1.04 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 2.5 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 1.24 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 1.1699999999999999 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.6800000000000002 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 1.1000000000000001 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.35999999999999999 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 1.0900000000000001 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.6299999999999999 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.4900000000000002 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.81999999999999995 110.391 -175.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.592 ' HB3' HD23 ' A' ' 19' ' ' LEU . 87.5 m-85 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.573 -0.528 . . . . 0.98999999999999999 109.573 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 2.4500000000000002 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89000000000000001 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.77 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.67000000000000004 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.7400000000000002 110.246 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.95999999999999996 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.7999999999999998 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.0600000000000001 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 1.04 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 2.5 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 1.24 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 1.1699999999999999 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.6800000000000002 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 1.1000000000000001 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.35999999999999999 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 1.0900000000000001 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.6299999999999999 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.4900000000000002 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.81999999999999995 110.01 -179.105 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.624 ' HB3' HD23 ' A' ' 19' ' ' LEU . 76.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.648 -0.501 . . . . 0.98999999999999999 109.648 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 2.4500000000000002 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89000000000000001 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.77 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.67000000000000004 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.7400000000000002 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.95999999999999996 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.7999999999999998 110.109 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 1.0600000000000001 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 1.04 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 2.5 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.464 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD23 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 1.1699999999999999 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 24' ' ' MET . 26.0 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.6800000000000002 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 1.1000000000000001 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.35999999999999999 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 1.0900000000000001 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.6299999999999999 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.4900000000000002 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.81999999999999995 113.641 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.595 ' HB3' HD21 ' A' ' 19' ' ' LEU . 94.0 m-85 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.795 -0.446 . . . . 0.98999999999999999 109.795 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 2.4500000000000002 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89000000000000001 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.77 111.305 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.67000000000000004 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.7400000000000002 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.95999999999999996 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.437 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.7999999999999998 109.601 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 1.0600000000000001 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 1.04 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 2.5 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 1.24 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 1.1699999999999999 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.6800000000000002 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 1.1000000000000001 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.35999999999999999 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 1.0900000000000001 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.6299999999999999 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.4900000000000002 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.81999999999999995 110.52 -172.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD21 ' A' ' 19' ' ' LEU . 91.2 m-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.276 -0.639 . . . . 0.98999999999999999 109.276 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 2.4500000000000002 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89000000000000001 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.77 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.67000000000000004 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.7400000000000002 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.95999999999999996 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.7999999999999998 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.0600000000000001 109.945 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 1.04 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 2.5 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 1.24 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 1.1699999999999999 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.6800000000000002 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 1.1000000000000001 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.35999999999999999 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 1.0900000000000001 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.6299999999999999 110.109 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.4900000000000002 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.81999999999999995 110.594 -172.419 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.674 0.274 . . . . 0.98999999999999999 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 2.4500000000000002 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89000000000000001 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.77 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.67000000000000004 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.7400000000000002 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.95999999999999996 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.7999999999999998 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 1.0600000000000001 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 1.04 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 2.5 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 1.24 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.1699999999999999 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.6800000000000002 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 1.1000000000000001 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.35999999999999999 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 1.0900000000000001 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.6299999999999999 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.4900000000000002 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.81999999999999995 109.837 178.665 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HD21 ' A' ' 19' ' ' LEU . 95.4 m-85 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.368 -0.604 . . . . 0.98999999999999999 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 2.4500000000000002 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89000000000000001 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.77 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.67000000000000004 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.7400000000000002 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.95999999999999996 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.7999999999999998 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 1.0600000000000001 110.315 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 1.04 111.999 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 1.24 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 1.1699999999999999 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.6800000000000002 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 1.1000000000000001 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.35999999999999999 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 1.0900000000000001 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.6299999999999999 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.4900000000000002 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.81999999999999995 110.583 -177.517 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 73.7 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.781 -0.822 . . . . 0.98999999999999999 108.781 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 2.4500000000000002 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89000000000000001 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.77 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.67000000000000004 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.7400000000000002 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.95999999999999996 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.7999999999999998 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 1.0600000000000001 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 1.04 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 2.5 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 1.24 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 1.1699999999999999 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.6800000000000002 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 1.1000000000000001 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.35999999999999999 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 1.0900000000000001 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.6299999999999999 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.4900000000000002 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.81999999999999995 111.462 -171.199 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HB3' HD23 ' A' ' 19' ' ' LEU . 59.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.98999999999999999 110.767 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 2.4500000000000002 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89000000000000001 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.77 109.796 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.67000000000000004 109.619 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.7400000000000002 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.95999999999999996 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.7999999999999998 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 1.0600000000000001 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 1.04 111.859 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.526 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 2.5 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 1.24 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 1.1699999999999999 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.6800000000000002 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.61 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 1.1000000000000001 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.35999999999999999 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 1.0900000000000001 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.61 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.6299999999999999 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.4900000000000002 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.81999999999999995 112.664 -168.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.442 -0.577 . . . . 0.98999999999999999 109.442 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 2.4500000000000002 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89000000000000001 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.77 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.67000000000000004 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.7400000000000002 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.95999999999999996 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.7999999999999998 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 1.0600000000000001 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 1.04 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 2.5 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 1.24 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 1.1699999999999999 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.477 ' HG3' ' HE1' ' A' ' 24' ' ' MET . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.6800000000000002 110.545 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 1.1000000000000001 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.35999999999999999 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 1.0900000000000001 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.477 ' HE1' ' HG3' ' A' ' 20' ' ' GLN . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.6299999999999999 110.949 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.4900000000000002 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.81999999999999995 110.337 -176.042 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.8 -0.444 . . . . 5.1399999999999997 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 57.1 64.4 1.64 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.416 0.627 . . . . 4.4199999999999999 109.972 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.11 97.61 7.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.786 . . . . 2.8500000000000001 110.798 -174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' HD21 ' A' ' 19' ' ' LEU . 99.1 m-85 -89.7 107.54 19.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.204 -0.665 . . . . 0.98999999999999999 109.204 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 2.4500000000000002 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89000000000000001 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.77 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.67000000000000004 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.7400000000000002 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.95999999999999996 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.7999999999999998 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 1.0600000000000001 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 1.04 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 2.5 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 1.24 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 1.1699999999999999 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.6800000000000002 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 1.1000000000000001 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.35999999999999999 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 1.0900000000000001 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.6299999999999999 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.4900000000000002 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -85.08 61.17 6.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.81999999999999995 110.391 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.72 -26.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 4.4900000000000002 110.998 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.702 -0.666 . . . . 5.7000000000000002 110.642 -177.501 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.824 0.345 . . . . 5.1399999999999997 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -100.27 80.64 2.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.132 -0.692 . . . . 4.4199999999999999 109.132 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -98.95 85.74 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.117 -0.492 . . . . 2.8500000000000001 110.722 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' HB3' HD23 ' A' ' 19' ' ' LEU . 87.5 m-85 -72.43 120.45 18.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.445 -0.798 . . . . 0.98999999999999999 109.573 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 2.4500000000000002 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89000000000000001 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.77 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.67000000000000004 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.7400000000000002 110.246 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.95999999999999996 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.7999999999999998 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.0600000000000001 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 1.04 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 2.5 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 1.24 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 1.1699999999999999 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.6800000000000002 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 1.1000000000000001 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.35999999999999999 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 1.0900000000000001 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.6299999999999999 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.4900000000000002 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.6 t -89.11 93.45 9.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.81999999999999995 110.01 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.32 -58.29 5.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.509 -0.769 . . . . 4.4900000000000002 110.032 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.96 -1.019 . . . . 5.7000000000000002 110.403 178.315 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.942 0.401 . . . . 5.1399999999999997 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -119.84 -50.61 2.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.09 -1.078 . . . . 4.4199999999999999 108.09 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 4.2 m-20 49.29 76.51 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.793 -1.094 . . . . 2.8500000000000001 111.957 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' HB3' HD23 ' A' ' 19' ' ' LEU . 76.0 m-85 -60.73 126.36 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.853 -0.612 . . . . 0.98999999999999999 109.648 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 2.4500000000000002 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89000000000000001 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.77 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.67000000000000004 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.7400000000000002 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.95999999999999996 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.7999999999999998 110.109 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 1.0600000000000001 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 1.04 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 2.5 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.464 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD23 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 1.1699999999999999 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 24' ' ' MET . 26.0 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.6800000000000002 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 1.1000000000000001 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.35999999999999999 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.495 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 1.0900000000000001 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.6299999999999999 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.4900000000000002 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t -79.64 93.41 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.81999999999999995 113.641 -168.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 pt -94.75 -14.37 8.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.034 -1.098 . . . . 4.4900000000000002 108.034 162.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 114.505 -1.225 . . . . 5.7000000000000002 109.525 174.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.013 -0.366 . . . . 5.1399999999999997 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -103.78 39.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.831 -1.174 . . . . 4.4199999999999999 107.831 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -155.04 156.17 35.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 2.8500000000000001 109.166 -173.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.595 ' HB3' HD21 ' A' ' 19' ' ' LEU . 94.0 m-85 -132.24 160.82 35.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.795 -0.446 . . . . 0.98999999999999999 109.795 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 2.4500000000000002 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89000000000000001 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.77 111.305 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.67000000000000004 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.7400000000000002 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.95999999999999996 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.437 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.7999999999999998 109.601 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 1.0600000000000001 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 1.04 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 2.5 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 1.24 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 1.1699999999999999 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.6800000000000002 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 1.1000000000000001 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.35999999999999999 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 1.0900000000000001 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.6299999999999999 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.4900000000000002 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t -93.65 124.69 37.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.81999999999999995 110.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.93 136.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 4.4900000000000002 109.956 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.729 -0.653 . . . . 5.7000000000000002 109.656 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.751 0.31 . . . . 5.1399999999999997 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 54.11 36.36 24.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.808 -0.633 . . . . 4.4199999999999999 111.616 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -104.01 -67.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.413 -0.588 . . . . 2.8500000000000001 109.413 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD21 ' A' ' 19' ' ' LEU . 91.2 m-85 -132.21 148.24 52.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.369 -0.832 . . . . 0.98999999999999999 109.276 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 2.4500000000000002 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89000000000000001 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.77 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.67000000000000004 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.7400000000000002 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.95999999999999996 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.7999999999999998 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.0600000000000001 109.945 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 1.04 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 2.5 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 1.24 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 1.1699999999999999 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.6800000000000002 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 1.1000000000000001 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.35999999999999999 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 1.0900000000000001 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.6299999999999999 110.109 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.4900000000000002 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.22 62.14 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.81999999999999995 110.594 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.3 mt 73.89 -77.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.308 -1.315 . . . . 4.4900000000000002 111.492 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.347 -0.835 . . . . 5.7000000000000002 110.613 -177.497 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.325 -0.25 . . . . 5.1399999999999997 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -78.22 98.33 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.809 -0.441 . . . . 4.4199999999999999 109.809 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 66.29 -160.94 0.25 Allowed 'General case' 0 C--O 1.238 0.477 0 O-C-N 123.846 0.716 . . . . 2.8500000000000001 110.517 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 -91.77 109.83 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.98999999999999999 110.477 -176.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 2.4500000000000002 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89000000000000001 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.77 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.67000000000000004 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.7400000000000002 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.95999999999999996 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.7999999999999998 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 1.0600000000000001 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 1.04 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 2.5 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 1.24 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.1699999999999999 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.6800000000000002 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 1.1000000000000001 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.35999999999999999 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 1.0900000000000001 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.6299999999999999 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.4900000000000002 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.05 -26.52 65.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.81999999999999995 109.837 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt 69.35 -87.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.847 -1.069 . . . . 4.4900000000000002 111.547 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.592 -0.718 . . . . 5.7000000000000002 110.232 -175.426 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.99 -0.374 . . . . 5.1399999999999997 109.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m 68.58 162.77 0.21 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.632 0.729 . . . . 4.4199999999999999 112.568 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -118.99 139.21 52.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.381 -0.827 . . . . 2.8500000000000001 109.146 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HB3' HD21 ' A' ' 19' ' ' LEU . 95.4 m-85 -103.36 86.46 2.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.368 -0.604 . . . . 0.98999999999999999 109.368 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 2.4500000000000002 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89000000000000001 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.77 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.67000000000000004 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.7400000000000002 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.95999999999999996 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.7999999999999998 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 1.0600000000000001 110.315 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 1.04 111.999 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 1.24 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 1.1699999999999999 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.6800000000000002 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 1.1000000000000001 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.35999999999999999 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 1.0900000000000001 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.6299999999999999 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.4900000000000002 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t -105.29 31.47 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.81999999999999995 110.583 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.832 HG13 ' H ' ' A' ' 28' ' ' GLU . 5.3 pt -63.71 -72.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 4.4900000000000002 110.187 175.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.832 ' H ' HG13 ' A' ' 27' ' ' ILE . 33.6 mm-40 . . . . . 0 C--O 1.246 0.913 0 N-CA-C 108.433 -0.951 . . . . 5.7000000000000002 108.433 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.89 0.376 . . . . 5.1399999999999997 111.256 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -105.07 20.34 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.34 -0.985 . . . . 4.4199999999999999 108.34 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.1 -169.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.597 -1.183 . . . . 2.8500000000000001 110.081 -173.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 73.7 m-85 -103.8 118.04 35.78 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.781 -0.822 . . . . 0.98999999999999999 108.781 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 2.4500000000000002 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89000000000000001 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.77 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.67000000000000004 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.7400000000000002 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.95999999999999996 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.7999999999999998 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 1.0600000000000001 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 1.04 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 2.5 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 1.24 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 1.1699999999999999 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.6800000000000002 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 1.1000000000000001 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.35999999999999999 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 1.0900000000000001 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.6299999999999999 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.4900000000000002 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t -98.39 28.48 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.81999999999999995 111.462 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.52 95.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.491 -0.559 . . . . 4.4900000000000002 109.491 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.395 -0.812 . . . . 5.7000000000000002 109.713 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.161 0.505 . . . . 5.1399999999999997 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -109.47 -51.83 2.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.71 -0.848 . . . . 4.4199999999999999 108.71 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' OD2' ' HA ' ' A' ' 14' ' ' PRO . 6.8 m-20 62.85 -169.81 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.08 -0.963 . . . . 2.8500000000000001 111.65 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HB3' HD23 ' A' ' 19' ' ' LEU . 59.6 m-85 -100.0 160.15 14.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.849 0.357 . . . . 0.98999999999999999 110.767 -176.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 2.4500000000000002 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89000000000000001 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.629 ' HB2' ' O ' ' A' ' 28' ' ' GLU . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.77 109.796 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.768 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.67000000000000004 109.619 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.7400000000000002 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.95999999999999996 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.7999999999999998 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 1.0600000000000001 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HA ' ' OD2' ' A' ' 3' ' ' ASP . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 1.04 111.859 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.526 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 2.5 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 1.24 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 1.1699999999999999 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.6800000000000002 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.61 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 1.1000000000000001 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.35999999999999999 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 1.0900000000000001 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.61 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.6299999999999999 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.4900000000000002 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t -85.03 122.26 29.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.81999999999999995 112.664 -168.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -102.41 -22.83 4.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.819 -1.082 . . . . 4.4900000000000002 108.453 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.768 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 39.5 tt0 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 114.642 -1.163 . . . . 5.7000000000000002 108.416 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 111.826 0.306 . . . . 5.1399999999999997 111.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -134.7 -70.95 0.49 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.635 -0.426 . . . . 4.4199999999999999 111.388 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.62 153.18 17.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 2.8500000000000001 110.767 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -115.22 161.91 17.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.98999999999999999 109.442 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 2.4500000000000002 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89000000000000001 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.77 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.67000000000000004 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.7400000000000002 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.95999999999999996 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.7999999999999998 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' HB3' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 1.0600000000000001 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 1.04 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 2.5 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 1.24 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 1.1699999999999999 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.477 ' HG3' ' HE1' ' A' ' 24' ' ' MET . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.6800000000000002 110.545 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 1.1000000000000001 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.35999999999999999 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 1.0900000000000001 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.477 ' HE1' ' HG3' ' A' ' 20' ' ' GLN . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.6299999999999999 110.949 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.4900000000000002 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t -85.15 52.23 2.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.81999999999999995 110.337 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.05 109.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 4.4900000000000002 111.326 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.958 -0.565 . . . . 5.7000000000000002 109.637 176.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.1 m-85 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.204 -0.665 . . . . 0.75 109.204 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 1.61 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.32 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.54 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.01 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.34 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.41 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 0.62 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 1.96 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 0.4 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 0.41 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.27 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.3 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 0.24 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.1 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.49 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.82 110.391 -175.498 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.5 m-85 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.573 -0.528 . . . . 0.75 109.573 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 1.61 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.32 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.54 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.01 110.246 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.34 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.41 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 0.3 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 0.62 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.4 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.41 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.27 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.36 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.3 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 0.24 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.1 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.49 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . 43.6 t . . . . . 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.82 110.01 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' HB3' HD22 ' A' ' 19' ' ' LEU . 76.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 1.61 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.32 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.54 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.01 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.34 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.41 110.109 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 0.3 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 0.62 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 1.96 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 0.4 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 0.41 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 24' ' ' MET . 97.1 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.27 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 0.36 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.3 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 0.24 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.1 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.49 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.82 113.641 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.0 m-85 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.795 -0.446 . . . . 0.75 109.795 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 1.61 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.32 111.305 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.54 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.01 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.34 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.41 109.601 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 0.3 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 0.62 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 1.96 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 0.4 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.41 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.36 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.3 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 0.24 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.1 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.82 110.52 -172.738 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.2 m-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.276 -0.639 . . . . 0.75 109.276 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 1.61 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.32 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.54 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.01 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.34 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.41 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 0.3 109.945 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 0.62 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 17' ' ' ASP . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 0.4 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 0.41 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.27 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 0.36 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.3 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 0.24 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.1 110.109 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.49 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.82 110.594 -172.419 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.674 0.274 . . . . 0.75 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 1.61 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.32 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.54 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.01 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.34 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.41 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 0.3 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 0.62 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 1.96 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 0.4 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.41 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.27 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 0.36 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.3 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 0.24 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.1 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.49 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.82 109.837 178.665 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 95.4 m-85 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.368 -0.604 . . . . 0.75 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 1.61 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.32 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.54 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.01 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.34 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.41 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.3 110.315 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 0.62 111.999 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 1.96 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 0.4 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 0.41 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.27 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 0.36 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 0.24 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.1 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.49 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.82 110.583 -177.517 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 19' ' ' LEU . 73.7 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.781 -0.822 . . . . 0.75 108.781 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 1.61 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.32 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.54 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.01 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.34 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.41 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.3 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 0.62 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 1.96 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 0.4 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 0.41 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.27 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 0.36 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.3 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 0.24 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.1 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.49 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.82 111.462 -171.199 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 59.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.75 110.767 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.61 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.32 109.796 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.54 109.619 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.01 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.34 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.41 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 0.3 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 0.62 111.859 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 1.96 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 0.4 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 0.41 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.27 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 0.36 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.3 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 0.24 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.1 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.49 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.82 112.664 -168.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.442 -0.577 . . . . 0.75 109.442 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 1.61 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.54 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.01 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.34 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 0.3 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 0.62 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 1.96 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 0.4 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 0.41 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.27 110.545 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.3 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.24 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.1 110.949 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.49 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.82 110.337 -176.042 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.8 -0.444 . . . . 5.08 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 57.1 64.4 1.64 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.416 0.627 . . . . 4.23 109.972 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.11 97.61 7.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.786 . . . . 2.85 110.798 -174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.1 m-85 -89.7 107.54 19.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.204 -0.665 . . . . 0.75 109.204 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 1.61 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.32 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.54 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.01 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.34 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.41 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 0.62 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 1.96 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 0.4 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 0.41 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.27 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.3 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 0.24 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.1 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.49 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -85.08 61.17 6.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.82 110.391 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.72 -26.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 4.05 110.998 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.702 -0.666 . . . . 5.7 110.642 -177.501 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.824 0.345 . . . . 5.08 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -100.27 80.64 2.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.132 -0.692 . . . . 4.23 109.132 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -98.95 85.74 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.117 -0.492 . . . . 2.85 110.722 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.5 m-85 -72.43 120.45 18.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.445 -0.798 . . . . 0.75 109.573 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 1.61 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.32 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.54 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.01 110.246 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.34 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.41 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 0.3 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 0.62 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.4 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.41 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.27 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.36 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.3 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 0.24 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.1 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.49 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . 43.6 t -89.11 93.45 9.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.82 110.01 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.32 -58.29 5.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.509 -0.769 . . . . 4.05 110.032 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.96 -1.019 . . . . 5.7 110.403 178.315 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.942 0.401 . . . . 5.08 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -119.84 -50.61 2.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.09 -1.078 . . . . 4.23 108.09 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 4.2 m-20 49.29 76.51 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.793 -1.094 . . . . 2.85 111.957 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' HB3' HD22 ' A' ' 19' ' ' LEU . 76.0 m-85 -60.73 126.36 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.853 -0.612 . . . . 0.75 109.648 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 1.61 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.32 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.54 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.01 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.34 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.41 110.109 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 0.3 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 0.62 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 1.96 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 0.4 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 0.41 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 24' ' ' MET . 97.1 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.27 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 0.36 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.3 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 0.24 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.1 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.49 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t -79.64 93.41 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.82 113.641 -168.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 pt -94.75 -14.37 8.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.034 -1.098 . . . . 4.05 108.034 162.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 114.505 -1.225 . . . . 5.7 109.525 174.853 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.013 -0.366 . . . . 5.08 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -103.78 39.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.831 -1.174 . . . . 4.23 107.831 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -155.04 156.17 35.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 2.85 109.166 -173.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.0 m-85 -132.24 160.82 35.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.795 -0.446 . . . . 0.75 109.795 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 1.61 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.32 111.305 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.54 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.01 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.34 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.41 109.601 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 0.3 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 0.62 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 1.96 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 0.4 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.41 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.36 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.3 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 0.24 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.1 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t -93.65 124.69 37.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.82 110.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.93 136.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 4.05 109.956 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.729 -0.653 . . . . 5.7 109.656 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.751 0.31 . . . . 5.08 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 54.11 36.36 24.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.808 -0.633 . . . . 4.23 111.616 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 18.8 m-20 -104.01 -67.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.413 -0.588 . . . . 2.85 109.413 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.2 m-85 -132.21 148.24 52.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.369 -0.832 . . . . 0.75 109.276 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 1.61 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.32 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.54 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.01 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.34 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.41 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' ASP . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 0.3 109.945 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 0.62 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 17' ' ' ASP . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 0.4 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 0.41 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.27 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 0.36 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.3 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 0.24 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.1 110.109 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.49 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.22 62.14 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.82 110.594 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.3 mt 73.89 -77.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.308 -1.315 . . . . 4.05 111.492 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.347 -0.835 . . . . 5.7 110.613 -177.497 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.325 -0.25 . . . . 5.08 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -78.22 98.33 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.809 -0.441 . . . . 4.23 109.809 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 4' ' ' PHE . 23.5 m-20 66.29 -160.94 0.25 Allowed 'General case' 0 C--O 1.238 0.477 0 O-C-N 123.846 0.716 . . . . 2.85 110.517 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 -91.77 109.83 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.75 110.477 -176.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 1.61 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.32 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.54 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.01 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.34 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.41 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 0.3 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 0.62 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 1.96 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 0.4 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.41 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.27 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 0.36 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.3 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 0.24 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.1 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.49 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.05 -26.52 65.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.82 109.837 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt 69.35 -87.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.847 -1.069 . . . . 4.05 111.547 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.592 -0.718 . . . . 5.7 110.232 -175.426 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.99 -0.374 . . . . 5.08 109.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m 68.58 162.77 0.21 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.632 0.729 . . . . 4.23 112.568 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -118.99 139.21 52.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.381 -0.827 . . . . 2.85 109.146 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 95.4 m-85 -103.36 86.46 2.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.368 -0.604 . . . . 0.75 109.368 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 1.61 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.32 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.54 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.01 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.34 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.41 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.3 110.315 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 0.62 111.999 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 1.96 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 0.4 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 0.41 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.27 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 0.36 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 0.24 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.1 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.49 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t -105.29 31.47 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.82 110.583 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.851 HG13 ' H ' ' A' ' 28' ' ' GLU . 5.3 pt -63.71 -72.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 4.05 110.187 175.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.851 ' H ' HG13 ' A' ' 27' ' ' ILE . 33.6 mm-40 . . . . . 0 C--O 1.246 0.913 0 N-CA-C 108.433 -0.951 . . . . 5.7 108.433 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.89 0.376 . . . . 5.08 111.256 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -105.07 20.34 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.34 -0.985 . . . . 4.23 108.34 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.1 -169.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.597 -1.183 . . . . 2.85 110.081 -173.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 19' ' ' LEU . 73.7 m-85 -103.8 118.04 35.78 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.781 -0.822 . . . . 0.75 108.781 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 1.61 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.32 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.54 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.01 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.34 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.41 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.3 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 0.62 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 1.96 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 0.4 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 0.41 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.27 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 0.36 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.3 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 0.24 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.1 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.49 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t -98.39 28.48 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.82 111.462 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.52 95.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.491 -0.559 . . . . 4.05 109.491 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.395 -0.812 . . . . 5.7 109.713 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.161 0.505 . . . . 5.08 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -109.47 -51.83 2.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.71 -0.848 . . . . 4.23 108.71 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' HA ' ' A' ' 14' ' ' PRO . 6.8 m-20 62.85 -169.81 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.08 -0.963 . . . . 2.85 111.65 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 59.6 m-85 -100.0 160.15 14.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.849 0.357 . . . . 0.75 110.767 -176.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.61 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 28' ' ' GLU . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.32 109.796 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.54 109.619 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.01 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.34 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.41 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 0.3 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HA ' ' OD2' ' A' ' 3' ' ' ASP . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 0.62 111.859 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 1.96 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 0.4 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 0.41 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.27 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 0.36 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.3 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 0.24 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.1 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.49 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t -85.03 122.26 29.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.82 112.664 -168.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -102.41 -22.83 4.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.819 -1.082 . . . . 4.05 108.453 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.784 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 39.5 tt0 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 114.642 -1.163 . . . . 5.7 108.416 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 111.826 0.306 . . . . 5.08 111.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -134.7 -70.95 0.49 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.635 -0.426 . . . . 4.23 111.388 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.62 153.18 17.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 2.85 110.767 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -115.22 161.91 17.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.75 109.442 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 1.61 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.54 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.01 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.34 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 0.3 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 0.62 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 1.96 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 0.4 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 0.41 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.27 110.545 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.3 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.24 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.1 110.949 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.49 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t -85.15 52.23 2.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.82 110.337 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 27' ' ' ILE . 10.8 pt -79.05 109.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 4.05 111.326 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.958 -0.565 . . . . 5.7 109.637 176.713 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.1 m-85 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.204 -0.665 . . . . 0.75 109.204 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 1.61 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.32 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.54 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.01 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.34 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.41 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 0.62 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 1.96 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 0.4 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 0.41 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.27 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.3 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 0.24 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.1 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.49 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.82 110.391 -175.498 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.5 m-85 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.573 -0.528 . . . . 0.75 109.573 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 1.61 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.32 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.54 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.01 110.246 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.34 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.41 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 0.3 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 0.62 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.4 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.41 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.27 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.36 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.3 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 0.24 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.1 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.49 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . 43.6 t . . . . . 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.82 110.01 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' HB3' HD22 ' A' ' 19' ' ' LEU . 76.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 1.61 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.32 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.54 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.01 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.34 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.41 110.109 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 0.3 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 0.62 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 1.96 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 0.4 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 0.41 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 24' ' ' MET . 26.0 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.27 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 0.36 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.3 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 0.24 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.1 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.49 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.82 113.641 -168.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.0 m-85 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.795 -0.446 . . . . 0.75 109.795 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 1.61 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.32 111.305 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.54 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.01 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.34 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.41 109.601 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 0.3 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 0.62 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 1.96 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 0.4 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.41 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.36 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.3 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 0.24 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.1 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.82 110.52 -172.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.2 m-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.276 -0.639 . . . . 0.75 109.276 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 1.61 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.32 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.54 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.01 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.34 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.41 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 0.3 109.945 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 0.62 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 17' ' ' ASP . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 0.4 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 0.41 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.27 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 0.36 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.3 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 0.24 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.1 110.109 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.49 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.82 110.594 -172.419 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.674 0.274 . . . . 0.75 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 1.61 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.32 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.54 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.01 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.34 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.41 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 0.3 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 0.62 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 1.96 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 0.4 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.41 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.27 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 0.36 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.3 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 0.24 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.1 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.49 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.82 109.837 178.665 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 95.4 m-85 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.368 -0.604 . . . . 0.75 109.368 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 1.61 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.32 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.54 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.01 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.34 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.41 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.3 110.315 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 0.62 111.999 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 1.96 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 0.4 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 0.41 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.27 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 0.36 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 0.24 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.1 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.49 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.82 110.583 -177.517 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 19' ' ' LEU . 73.7 m-85 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.781 -0.822 . . . . 0.75 108.781 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 1.61 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.32 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.54 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.01 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.34 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.41 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.3 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 0.62 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 1.96 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 0.4 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 0.41 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.27 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 0.36 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.3 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 0.24 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.1 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.49 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.82 111.462 -171.199 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 59.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.75 110.767 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.61 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.32 109.796 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.54 109.619 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.01 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.34 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.41 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 0.3 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 0.62 111.859 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.529 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 1.96 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 0.4 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 0.41 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.27 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 0.36 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.3 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 0.24 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.1 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.49 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.82 112.664 -168.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.442 -0.577 . . . . 0.75 109.442 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 1.61 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.54 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.01 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.34 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 0.3 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 0.62 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 1.96 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 0.4 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 0.41 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.27 110.545 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.3 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.24 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.1 110.949 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.49 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.82 110.337 -176.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.8 -0.444 . . . . 5.08 109.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 57.1 64.4 1.64 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.416 0.627 . . . . 4.23 109.972 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -102.11 97.61 7.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.47 -0.786 . . . . 2.85 110.798 -174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.1 m-85 -89.7 107.54 19.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.204 -0.665 . . . . 0.75 109.204 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.33 138.18 35.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.243 0.544 . . . . 1.61 111.965 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t -78.16 119.15 76.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.132 -0.94 . . . . 0.37 110.296 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.13 35.23 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.808 2.339 . . . . 0.89 112.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -137.31 -24.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 2.32 110.351 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -160.71 172.38 17.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.032 -0.729 . . . . 0.54 109.032 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -79.09 86.31 4.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 3.01 110.477 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -144.56 115.66 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.614 -0.721 . . . . 0.34 109.921 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.27 114.84 28.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.333 0.587 . . . . 2.41 110.046 176.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.2 142.17 24.96 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.506 -0.77 . . . . 0.3 110.569 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.21 -31.15 6.18 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.365 2.043 . . . . 0.62 112.076 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.97 144.1 34.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.766 -0.652 . . . . 1.98 110.562 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.93 -28.5 64.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.988 -0.745 . . . . 1.96 108.988 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.7 m-20 -61.26 -50.48 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.036 -0.983 . . . . 2.25 109.44 174.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -56.23 -43.46 78.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.378 -0.828 . . . . 0.4 111.168 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 57.4 tp -57.78 -49.39 76.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.422 -0.353 . . . . 0.41 110.581 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -54.87 -48.95 72.28 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.883 0.373 . . . . 2.27 110.683 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 17' ' ' ASP . 61.1 mt -58.82 -49.12 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.32 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -60.78 -44.05 97.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.758 -0.655 . . . . 0.3 111.371 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.3 t -62.33 -36.64 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.587 0.232 . . . . 0.24 111.245 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.3 mtp -78.69 -16.25 57.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.903 0.382 . . . . 2.1 111.13 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -87.52 -33.34 19.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.517 0.675 . . . . 2.49 109.832 171.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -85.08 61.17 6.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.846 -1.07 . . . . 0.82 110.391 -175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.72 -26.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 4.05 110.998 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.702 -0.666 . . . . 5.7 110.642 -177.501 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.824 0.345 . . . . 5.08 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -100.27 80.64 2.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.132 -0.692 . . . . 4.23 109.132 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -98.95 85.74 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.117 -0.492 . . . . 2.85 110.722 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.5 m-85 -72.43 120.45 18.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.445 -0.798 . . . . 0.75 109.573 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.7 m -100.09 138.64 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.402 -0.363 . . . . 1.61 111.552 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' LYS . 43.8 t -69.0 118.83 65.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.37 110.234 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.81 43.75 1.42 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.985 2.457 . . . . 0.89 112.016 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 20.2 tptm -149.1 -40.96 0.15 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.511 -0.768 . . . . 2.32 110.406 -175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.2 p -147.1 174.83 11.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.54 109.485 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 6.4 tp60 -79.41 93.67 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.405 0.622 . . . . 3.01 110.246 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -153.45 128.38 9.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.238 -0.892 . . . . 0.34 109.335 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.97 131.48 54.03 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.852 -0.425 . . . . 2.41 109.852 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -118.69 134.58 23.52 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 0.3 110.313 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -69.75 -30.68 21.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.582 2.188 . . . . 0.62 112.082 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 23.1 t70 -106.12 141.95 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 1.98 110.406 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.13 -42.89 96.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 1.96 110.998 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.8 m-20 -66.72 -41.85 87.27 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 110.05 -0.352 . . . . 2.25 110.05 -178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 15' ' ' ASP . 28.0 m -54.67 -40.28 68.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.4 110.781 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 4' ' ' PHE . 48.1 tp -65.73 -44.95 84.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.334 -0.394 . . . . 0.41 110.857 178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -62.98 -40.51 97.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.799 -0.445 . . . . 2.27 109.799 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -59.74 -43.48 91.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 115.894 -0.594 . . . . 0.36 110.269 175.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -58.65 -52.72 64.49 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 116.235 -0.439 . . . . 0.3 110.532 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 19' ' ' LEU . 93.3 t -61.58 -35.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.903 0.334 . . . . 0.24 111.903 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.13 -34.21 74.66 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.669 -0.412 . . . . 2.1 110.736 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -93.7 5.23 52.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.564 0.697 . . . . 2.49 109.567 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . 43.6 t -89.11 93.45 9.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.333 -0.848 . . . . 0.82 110.01 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.32 -58.29 5.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.509 -0.769 . . . . 4.05 110.032 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.96 -1.019 . . . . 5.7 110.403 178.315 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.942 0.401 . . . . 5.08 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -119.84 -50.61 2.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.09 -1.078 . . . . 4.23 108.09 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 4.2 m-20 49.29 76.51 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.793 -1.094 . . . . 2.85 111.957 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' HB3' HD22 ' A' ' 19' ' ' LEU . 76.0 m-85 -60.73 126.36 27.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.853 -0.612 . . . . 0.75 109.648 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.5 m -100.44 139.31 36.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.157 0.503 . . . . 1.61 111.679 -170.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.3 t -70.5 135.23 86.33 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.486 -0.779 . . . . 0.37 110.455 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 4.6 Cg_exo -81.35 13.59 2.37 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.372 2.715 . . . . 0.89 113.242 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 91.0 mttt -124.85 -74.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.696 -0.483 . . . . 2.32 109.696 178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.62 162.53 14.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.393 -0.595 . . . . 0.54 109.393 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -79.87 75.33 6.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.374 0.607 . . . . 3.01 109.71 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -111.64 129.4 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.444 -0.798 . . . . 0.34 109.456 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 48.4 mt-30 -113.76 124.61 52.68 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.109 -0.33 . . . . 2.41 110.109 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -115.08 125.46 28.91 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.391 -0.368 . . . . 0.3 110.586 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 9.8 Cg_exo -72.6 -26.04 16.94 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.792 2.328 . . . . 0.62 111.604 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -105.71 137.91 42.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.397 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -67.37 -40.06 85.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 1.96 111.288 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 13.9 m-20 -67.49 -41.97 83.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 2.25 110.279 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.5 m -55.35 -40.67 71.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.736 -0.666 . . . . 0.4 110.826 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 ' HB3' ' A' ' 4' ' ' PHE . 27.2 tp -60.67 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.967 -0.382 . . . . 0.41 109.967 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 24' ' ' MET . 26.0 mt-30 -59.56 -47.64 84.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.27 111.069 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 68.9 mt -56.56 -45.37 82.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 120.833 0.349 . . . . 0.36 110.48 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.81 -53.99 51.96 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.3 110.289 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HA ' ' CB ' ' A' ' 26' ' ' CYS . 93.1 t -60.03 -36.09 65.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 O-C-N 123.06 0.225 . . . . 0.24 111.165 -175.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 65.6 mtt -60.27 -36.13 77.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.828 0.347 . . . . 2.1 110.72 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.37 1.53 41.54 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.394 0.616 . . . . 2.49 110.463 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 23' ' ' VAL . 39.8 t -79.64 93.41 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.641 0.978 . . . . 0.82 113.641 -168.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 pt -94.75 -14.37 8.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.034 -1.098 . . . . 4.05 108.034 162.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 114.505 -1.225 . . . . 5.7 109.525 174.853 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.013 -0.366 . . . . 5.08 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -103.78 39.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.831 -1.174 . . . . 4.23 107.831 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -155.04 156.17 35.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.294 -1.321 . . . . 2.85 109.166 -173.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.0 m-85 -132.24 160.82 35.05 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.795 -0.446 . . . . 0.75 109.795 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.5 t -127.97 145.06 51.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.654 0.264 . . . . 1.61 110.675 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.1 t -76.76 115.43 47.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.287 -0.635 . . . . 0.37 109.287 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.18 28.6 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.895 2.396 . . . . 0.89 114.002 -172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 49.7 tttp -141.98 -33.1 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.121 -0.362 . . . . 2.32 111.305 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 p -137.51 175.6 9.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.264 -0.272 . . . . 0.54 110.264 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -83.39 86.86 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.231 0.539 . . . . 3.01 110.613 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -155.57 132.14 10.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.34 109.653 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -123.73 149.45 45.55 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.601 -0.518 . . . . 2.41 109.601 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -128.43 135.03 26.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.258 -0.428 . . . . 0.3 110.629 -176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.1 Cg_exo -65.89 -40.87 15.31 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.629 2.22 . . . . 0.62 111.773 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.73 143.08 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.199 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.45 -27.68 68.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.027 0.442 . . . . 1.96 109.867 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 9.9 m-20 -60.11 -54.22 48.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.601 -0.727 . . . . 2.25 109.511 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.2 m -57.04 -39.04 74.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.428 -0.805 . . . . 0.4 110.867 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 4' ' ' PHE . 38.0 tp -57.37 -54.96 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.41 110.661 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 24' ' ' MET . 45.2 mt-30 -61.81 -38.87 89.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 2.27 110.819 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.9 mt -59.26 -48.62 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.36 110.223 176.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -60.83 -43.02 98.8 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.3 111.098 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 19' ' ' LEU . 61.3 t -64.14 -30.55 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.689 0.281 . . . . 0.24 110.706 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 24.9 mmt -68.36 -35.1 77.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.15 0.5 . . . . 2.1 110.135 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -81.9 -13.89 56.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.236 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 t -93.65 124.69 37.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.554 -0.748 . . . . 0.82 110.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.93 136.48 26.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 4.05 109.956 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.729 -0.653 . . . . 5.7 109.656 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.751 0.31 . . . . 5.08 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 54.11 36.36 24.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.808 -0.633 . . . . 4.23 111.616 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 18.8 m-20 -104.01 -67.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.413 -0.588 . . . . 2.85 109.413 176.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.2 m-85 -132.21 148.24 52.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.369 -0.832 . . . . 0.75 109.276 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.5 t -133.55 147.87 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.867 0.365 . . . . 1.61 110.77 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.47 127.85 66.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.265 -0.425 . . . . 0.37 110.336 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.39 9.01 4.31 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.661 2.241 . . . . 0.89 113.277 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -114.48 -24.5 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.28 0.562 . . . . 2.32 110.404 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -159.89 156.75 27.83 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.755 -1.202 . . . . 0.54 107.755 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -77.65 85.8 3.97 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.536 0.684 . . . . 3.01 110.655 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -126.24 120.04 28.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.074 -0.966 . . . . 0.34 109.51 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.02 127.46 36.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 2.41 110.3 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' ASP . . . -119.7 131.11 24.51 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 0.3 109.945 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.77 -35.41 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.297 1.998 . . . . 0.62 112.286 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 17' ' ' ASP . 20.1 t70 -106.03 147.14 29.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.894 -0.594 . . . . 1.98 110.891 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 27.3 ttt -69.05 -40.78 78.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 1.96 111.556 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' O ' HG13 ' A' ' 21' ' ' ILE . 17.4 t70 -61.48 -49.72 75.66 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.384 0.611 . . . . 2.25 109.399 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 m -49.68 -43.1 47.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.322 -1.308 . . . . 0.4 111.21 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 4' ' ' PHE . 29.6 tp -60.86 -49.16 78.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.313 -0.403 . . . . 0.41 110.845 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' MET . 26.9 mm-40 -59.01 -47.12 86.34 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.154 -0.475 . . . . 2.27 110.472 -177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 17' ' ' ASP . 63.2 mt -56.06 -47.53 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.745 -0.661 . . . . 0.36 110.403 177.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -61.33 -44.69 96.76 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.3 111.422 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 19' ' ' LEU . 84.3 t -64.09 -39.4 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.549 0.214 . . . . 0.24 111.055 -176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 23.3 mmt -70.3 -22.87 62.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 2.1 110.109 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.42 -14.6 32.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.204 -0.907 . . . . 2.49 110.181 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.3 t -85.22 62.14 7.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.617 0.722 . . . . 0.82 110.594 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.3 mt 73.89 -77.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.308 -1.315 . . . . 4.05 111.492 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.347 -0.835 . . . . 5.7 110.613 -177.497 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 110.325 -0.25 . . . . 5.08 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -78.22 98.33 5.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.809 -0.441 . . . . 4.23 109.809 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 4' ' ' PHE . 23.5 m-20 66.29 -160.94 0.25 Allowed 'General case' 0 C--O 1.238 0.477 0 O-C-N 123.846 0.716 . . . . 2.85 110.517 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.9 m-85 -91.77 109.83 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.75 110.477 -176.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.45 139.35 41.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.917 0.389 . . . . 1.61 110.913 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 45.2 t -68.65 125.18 91.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.807 -0.442 . . . . 0.37 109.807 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 2.0 Cg_endo -82.72 12.98 2.73 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.87 2.38 . . . . 0.89 112.342 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 -20.54 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 2.32 110.604 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 p -160.73 161.16 32.11 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.54 108.479 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -77.88 95.55 4.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.587 0.708 . . . . 3.01 110.293 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -140.85 132.41 27.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.704 -1.135 . . . . 0.34 108.961 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -101.9 128.46 48.29 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.5 0.5 . . . . 2.41 110.289 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -123.85 116.53 27.6 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.424 -0.353 . . . . 0.3 110.205 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.88 -29.62 12.12 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.294 1.996 . . . . 0.62 112.142 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' HB2' ' OG1' ' A' ' 18' ' ' THR . 13.6 m-20 -106.01 148.9 27.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.26 -0.427 . . . . 1.98 111.103 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.1 ttm -66.25 -36.25 82.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.916 -0.584 . . . . 1.96 109.567 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' HG13 ' A' ' 21' ' ' ILE . 1.6 m-20 -57.86 -53.24 60.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.134 -0.939 . . . . 2.25 110.026 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 15' ' ' ASP . 19.8 m -54.1 -44.55 71.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.305 -0.861 . . . . 0.4 111.586 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 4' ' ' PHE . 32.4 tp -58.18 -52.54 65.14 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.41 110.615 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.47 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 2.27 111.209 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.9 mt -58.33 -49.65 81.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 109.495 -0.557 . . . . 0.36 109.495 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -64.27 -45.08 89.65 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.517 -0.765 . . . . 0.3 111.436 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.0 t -60.77 -39.71 82.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 117.869 0.304 . . . . 0.24 111.31 -175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -72.07 -32.41 67.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.812 0.339 . . . . 2.1 110.811 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.8 -37.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 2.49 109.771 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.05 -26.52 65.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 0.82 109.837 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.3 mt 69.35 -87.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.847 -1.069 . . . . 4.05 111.547 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.592 -0.718 . . . . 5.7 110.232 -175.426 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.99 -0.374 . . . . 5.08 109.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m 68.58 162.77 0.21 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.632 0.729 . . . . 4.23 112.568 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -118.99 139.21 52.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.381 -0.827 . . . . 2.85 109.146 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.694 ' HB3' HD22 ' A' ' 19' ' ' LEU . 95.4 m-85 -103.36 86.46 2.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.368 -0.604 . . . . 0.75 109.368 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -99.77 142.19 31.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 1.61 110.962 -171.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 41.4 t -73.46 126.2 90.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.418 -0.81 . . . . 0.37 111.385 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.9 42.49 1.28 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.127 2.551 . . . . 0.89 112.261 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 61.3 mmtt -148.64 -39.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.524 0.678 . . . . 2.32 110.115 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -148.81 167.17 26.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.994 -1.003 . . . . 0.54 108.378 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -78.93 89.81 4.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.442 0.639 . . . . 3.01 110.089 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -135.74 108.8 7.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.855 -1.066 . . . . 0.34 108.741 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -99.78 99.37 10.17 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.827 -0.624 . . . . 2.41 110.544 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -82.32 139.37 45.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.542 -0.754 . . . . 0.3 110.315 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 10.0 Cg_exo -72.66 -42.12 1.32 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.684 2.256 . . . . 0.62 111.999 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -107.04 153.17 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 1.98 111.384 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.4 ttm -69.33 -40.28 77.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.23 -0.441 . . . . 1.96 111.95 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.8 t70 -61.84 -52.21 65.09 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.399 0.619 . . . . 2.25 109.657 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -52.43 -41.93 63.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.403 -1.272 . . . . 0.4 111.0 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.1 tp -56.77 -56.3 23.31 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.227 -0.442 . . . . 0.41 110.65 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.25 -38.77 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.087 0.242 . . . . 2.27 111.051 -175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.5 mt -57.1 -48.8 81.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.113 0.482 . . . . 0.36 110.051 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 48.6 t60 -65.67 -40.47 92.43 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.079 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' LEU . 64.1 t -64.41 -35.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 122.139 -0.351 . . . . 0.24 110.828 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.93 -37.46 78.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.672 0.272 . . . . 2.1 110.881 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 22' ' ' HIS . 9.0 pt-20 -81.51 -13.74 57.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.146 0.498 . . . . 2.49 110.622 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.8 t -105.29 31.47 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.948 -0.569 . . . . 0.82 110.583 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.851 HG13 ' H ' ' A' ' 28' ' ' GLU . 5.3 pt -63.71 -72.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.313 -0.403 . . . . 4.05 110.187 175.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.851 ' H ' HG13 ' A' ' 27' ' ' ILE . 33.6 mm-40 . . . . . 0 C--O 1.246 0.913 0 N-CA-C 108.433 -0.951 . . . . 5.7 108.433 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.89 0.376 . . . . 5.08 111.256 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -105.07 20.34 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.34 -0.985 . . . . 4.23 108.34 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.1 -169.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.597 -1.183 . . . . 2.85 110.081 -173.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 19' ' ' LEU . 73.7 m-85 -103.8 118.04 35.78 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.781 -0.822 . . . . 0.75 108.781 174.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.3 m -99.27 144.45 28.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.446 0.641 . . . . 1.61 112.153 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.45 119.82 78.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.185 -0.916 . . . . 0.37 109.523 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.95 25.72 0.37 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.834 2.356 . . . . 0.89 113.468 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -135.5 -22.53 1.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.714 0.292 . . . . 2.32 111.154 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.5 p -154.36 170.81 20.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 0.54 109.848 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.99 70.31 5.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.66 0.743 . . . . 3.01 110.922 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 59.1 t80 -121.68 108.77 13.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.268 -0.641 . . . . 0.34 109.268 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -108.67 96.98 6.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 2.41 110.104 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . . . -90.12 127.54 53.09 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.859 -0.609 . . . . 0.3 110.571 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 12.0 Cg_exo -71.9 -26.78 18.4 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.677 2.251 . . . . 0.62 111.326 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.91 132.66 51.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.325 -0.852 . . . . 1.98 110.065 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.4 ttp -66.94 -41.93 86.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.839 0.311 . . . . 1.96 111.839 -174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' HG13 ' A' ' 21' ' ' ILE . 19.3 m-20 -59.61 -44.8 93.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.94 0.4 . . . . 2.25 110.06 177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -53.33 -43.25 67.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.437 -0.802 . . . . 0.4 110.887 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.8 tp -63.1 -49.65 73.62 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.527 -0.306 . . . . 0.41 110.496 177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -58.93 -39.94 83.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.463 -0.335 . . . . 2.27 111.201 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 17' ' ' ASP . 70.7 mt -61.48 -50.38 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.899 -0.408 . . . . 0.36 109.899 174.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -55.47 -46.59 76.82 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.3 111.077 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 87.8 t -60.93 -35.92 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.62 0.248 . . . . 0.24 110.764 -177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mtp -66.79 -29.48 69.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 2.1 110.872 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -29.41 36.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.678 0.751 . . . . 2.49 109.793 174.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 t -98.39 28.48 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.941 -1.027 . . . . 0.82 111.462 -171.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.52 95.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.491 -0.559 . . . . 4.05 109.491 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.395 -0.812 . . . . 5.7 109.713 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.161 0.505 . . . . 5.08 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -109.47 -51.83 2.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.71 -0.848 . . . . 4.23 108.71 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.506 ' OD2' ' HA ' ' A' ' 14' ' ' PRO . 6.8 m-20 62.85 -169.81 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.08 -0.963 . . . . 2.85 111.65 172.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 59.6 m-85 -100.0 160.15 14.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.849 0.357 . . . . 0.75 110.767 -176.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 42.9 t -138.41 144.16 40.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.087 -0.506 . . . . 1.61 109.926 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.4 t -64.71 136.42 96.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.37 109.86 174.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.04 0.88 7.8 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.897 2.398 . . . . 0.89 113.588 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 28' ' ' GLU . 99.1 mttt -118.54 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.796 -0.446 . . . . 2.32 109.796 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . 28.7 p -79.14 155.84 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.619 -0.512 . . . . 0.54 109.619 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -79.36 84.21 5.3 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.512 0.672 . . . . 3.01 109.441 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.5 t80 -118.68 111.01 17.97 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.378 -0.828 . . . . 0.34 110.078 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.5 127.67 32.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.96 -0.564 . . . . 2.41 109.764 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.71 118.21 26.0 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.104 -0.498 . . . . 0.3 109.943 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HA ' ' OD2' ' A' ' 3' ' ' ASP . 32.0 Cg_endo -65.12 -40.54 19.63 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.611 2.207 . . . . 0.62 111.859 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.17 143.53 33.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.494 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.529 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 13.0 tmm? -65.52 -28.69 69.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.68 -0.859 . . . . 1.96 108.68 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 37.0 t70 -55.74 -60.23 3.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.236 -0.893 . . . . 2.25 110.06 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.5 m -48.84 -45.36 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.668 -1.151 . . . . 0.4 111.188 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 54.0 tp -58.44 -52.71 64.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.604 . . . . 0.41 110.782 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.84 -42.46 89.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 2.27 110.837 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 85.5 mt -57.67 -50.86 76.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.048 0.451 . . . . 0.36 109.981 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' CYS . 68.0 t60 -59.25 -50.98 71.93 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.3 110.718 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 19' ' ' LEU . 97.5 t -58.42 -33.0 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 111.782 0.289 . . . . 0.24 111.782 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' ILE . 66.1 mtm -67.87 -41.48 82.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 2.1 110.63 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -85.43 -1.51 57.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.471 0.653 . . . . 2.49 110.704 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 54.1 t -85.03 122.26 29.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.471 -0.786 . . . . 0.82 112.664 -168.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -102.41 -22.83 4.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.819 -1.082 . . . . 4.05 108.453 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.784 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 39.5 tt0 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 114.642 -1.163 . . . . 5.7 108.416 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 111.826 0.306 . . . . 5.08 111.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -134.7 -70.95 0.49 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.635 -0.426 . . . . 4.23 111.388 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.62 153.18 17.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 2.85 110.767 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -115.22 161.91 17.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.75 109.442 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.93 151.6 40.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 1.61 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 8' ' ' LYS . 36.0 t -80.18 123.84 83.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.901 -0.591 . . . . 0.37 110.582 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.49 32.21 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.898 2.398 . . . . 0.89 112.667 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 28.4 mmmt -137.35 -29.94 0.86 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.528 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.2 p -161.59 174.4 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.54 109.837 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -78.66 106.4 10.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.054 0.454 . . . . 3.01 110.734 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -159.25 126.51 4.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.732 -0.667 . . . . 0.34 109.839 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -101.9 132.91 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.56 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -124.64 117.51 26.26 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.019 -0.537 . . . . 0.3 109.979 177.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.28 -42.34 18.08 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.576 2.184 . . . . 0.62 112.388 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -106.63 153.81 21.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.105 -0.498 . . . . 1.98 110.405 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -34.44 77.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.673 -0.492 . . . . 1.96 109.673 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' ILE . 11.6 t70 -59.06 -53.82 54.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.596 -0.729 . . . . 2.25 109.981 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 11.4 m -51.1 -43.77 61.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.962 -1.017 . . . . 0.4 111.231 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 tp -64.18 -50.55 67.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.649 -0.705 . . . . 0.41 110.389 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -57.31 -43.68 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 2.27 110.545 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.2 mt -57.58 -52.97 50.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.432 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -59.79 -44.73 93.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.3 111.366 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 19' ' ' LEU . 59.3 t -61.3 -34.6 61.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.24 110.466 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.7 mtt -68.22 -33.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 2.1 110.949 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -85.4 -21.14 28.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 2.49 110.56 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.4 t -85.15 52.23 2.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.82 110.337 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 27' ' ' ILE . 10.8 pt -79.05 109.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.781 -0.645 . . . . 4.05 111.326 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.958 -0.565 . . . . 5.7 109.637 176.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_