data_2n5u_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 2n5u _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . 0.432 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.627 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.627 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB2' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.537 HG13 ' HB2' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.404 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 30.7 pt . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.613 0.244 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.548 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.603 0.24 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.551 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.48 ' HA ' HG13 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.599 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 HG12 HD23 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 HG12 ' A' ' 12' ' ' ILE . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.4 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 120.634 0.254 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.3 mm-40 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG12 HD23 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.53 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG12 HD22 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HG12 ' A' ' 12' ' ' ILE . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.223 -0.331 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' O ' HG21 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.559 HG13 ' HB1' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 HG21 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG13 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt . . . . . 0 C--O 1.234 0.25 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.658 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.658 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.536 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.69 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.69 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' HG13 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.614 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 17.7 pt . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG12 HD23 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG13 ' HB1' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD23 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HG ' ' CD ' ' A' ' 61' ' ' GLU . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 HG13 ' HB1' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.529 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' HG ' ' A' ' 10' ' ' CYS . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.591 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.522 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.53 HG13 ' HB2' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.435 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.643 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.495 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.503 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.505 HG13 ' HB1' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.415 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 21.8 pt . . . . . 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.718 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.718 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 1.9 tp-100 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . 0.414 ' HA ' ' CG ' ' A' ' 0' ' ' ARG . 16.2 pt . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.569 ' HA ' ' CD ' ' A' ' 59' ' ' GLU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.569 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 24.5 pt . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.542 0.211 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.433 HG12 HD23 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 12' ' ' ILE . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 42.4 mt . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.716 0.293 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HG ' ' CD ' ' A' ' 61' ' ' GLU . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 HD22 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' H ' HD12 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD22 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 50' ' ' ARG . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 48' ' ' ASP . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -169.78 -22.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.43 0.456 . . . . 0.0 111.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.7 t 70.17 -72.45 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.338 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -148.5 -2.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.1 t -53.92 138.33 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.96 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -94.09 166.14 16.23 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.156 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -48.35 120.53 5.15 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.312 2.008 . . . . 0.0 110.62 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -88.21 109.67 20.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -132.32 126.17 32.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -85.71 -71.13 0.55 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.545 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 25.3 pttm -115.09 -20.92 10.26 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.513 HG12 ' OE1' ' A' ' -5' ' ' GLU . 41.5 pt -71.51 -9.77 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.399 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.432 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.627 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.627 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB2' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -61.11 126.51 27.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 9.5 t -78.09 161.22 27.58 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 70.72 118.12 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.458 0.647 . . . . 0.0 111.239 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 42.6 m -115.06 134.36 55.24 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.401 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 143.59 76.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -49.91 -57.66 2.18 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.626 2.217 . . . . 0.0 111.207 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -174.89 -107.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.586 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.707 ' O ' ' HG3' ' A' ' -2' ' ' GLU . 9.1 m-85 53.75 25.23 4.93 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.093 0.557 . . . . 0.0 110.933 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' -4' ' ' LYS . 16.2 pt-20 -56.9 142.27 41.95 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' -5' ' ' GLU . 49.1 mtpt 75.24 -40.51 0.43 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.867 0.729 . . . . 0.0 112.045 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt -87.39 -11.86 10.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . 0.707 ' HG3' ' O ' ' A' ' -6' ' ' PHE . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.537 HG13 ' HB2' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.404 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -109.43 -169.83 1.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 52.3 m 62.86 38.1 11.69 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.157 0.504 . . . . 0.0 111.277 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -72.47 123.78 23.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 24.8 m -101.95 115.84 31.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.389 0.614 . . . . 0.0 110.677 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -103.23 107.22 54.81 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.319 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.64 -7.79 20.67 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.71 2.273 . . . . 0.0 112.679 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -75.78 88.18 2.82 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 110.127 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -100.07 144.36 29.2 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.455 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' -3' ' ' ILE . 16.1 mm-40 -87.91 -128.34 0.06 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.488 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.01 6.29 3.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.439 0.638 . . . . 0.0 110.755 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.41 ' H ' ' C ' ' A' ' -5' ' ' GLU . 30.7 pt -96.77 -3.81 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.542 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -70.3 134.86 48.38 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 17.5 m -94.79 176.36 6.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . 0.406 ' C ' ' HG ' ' A' ' -10' ' ' SER . 43.6 p-90 -65.81 155.21 36.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.095 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' -11' ' ' TRP . 50.9 m -154.9 141.31 18.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -114.36 146.7 36.38 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.28 106.09 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.531 2.154 . . . . 0.0 111.665 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -89.64 109.23 20.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -117.17 148.14 41.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -80.94 -89.98 0.07 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.53 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -126.22 19.02 7.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -97.99 -11.95 8.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.032 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.548 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.058 0.456 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -162.98 173.78 13.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.8 t -87.62 130.93 34.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 58.5 119.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 112.813 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.8 m -119.66 -29.87 4.94 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.558 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 6.9 p80 -140.86 122.08 9.1 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 22.6 Cg_exo -65.47 -35.63 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.307 2.005 . . . . 0.0 111.355 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 64.63 86.68 0.12 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.543 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.515 ' HB3' ' HB ' ' A' ' -3' ' ' ILE . 73.8 m-85 -94.52 72.37 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.963 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -35.82 -85.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.733 1.213 . . . . 0.0 113.804 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -100.15 12.76 36.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.122 0.486 . . . . 0.0 110.066 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 21.5 mt -92.77 -53.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.561 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.551 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.48 ' HA ' HG13 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.599 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG12 HD23 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 HG12 ' A' ' 12' ' ' ILE . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -145.17 -166.02 2.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.169 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 7.3 m -61.54 -38.71 88.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 0.0 110.868 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -136.73 -84.59 0.35 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.121 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 50.1 m 60.48 170.84 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.158 0.583 . . . . 0.0 111.79 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -71.71 146.58 91.12 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.52 117.13 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.197 1.931 . . . . 0.0 110.899 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.91 132.33 34.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -106.22 125.65 51.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.0 -72.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.697 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 0' ' ' ARG . 57.2 mttp -133.2 57.76 1.79 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.4 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt -129.42 -51.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.082 -175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.3 mm-40 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG12 HD23 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 25.4 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -66.11 133.79 51.46 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.882 0.372 . . . . 0.0 110.647 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 13.2 m -94.69 126.48 40.02 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.999 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.77 -81.64 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 60.1 p 54.01 116.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.325 1.05 . . . . 0.0 112.723 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 132.21 17.35 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.521 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.57 -23.62 65.87 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.15 2.567 . . . . 0.0 113.211 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 42.01 74.46 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.776 0.83 . . . . 0.0 113.198 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -81.21 96.73 7.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.73 -87.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.303 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.67 -13.79 36.21 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt -60.28 -50.2 81.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG12 HD22 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HG12 ' A' ' 12' ' ' ILE . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.324 0.107 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 65.47 -73.95 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.719 0.808 . . . . 0.0 112.399 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 33.5 p -161.25 -45.03 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.39 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -90.42 115.92 27.96 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.085 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 25.0 m -143.56 -62.01 0.4 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . 0.432 ' HB2' ' HG2' ' A' ' -7' ' ' GLN . 29.8 p-80 -173.88 91.47 0.34 Allowed Pre-proline 0 C--O 1.219 -0.542 0 CA-C-O 121.497 0.665 . . . . 0.0 111.408 173.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.46 25.21 0.61 Allowed 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 122.754 2.303 . . . . 0.0 109.286 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . 0.432 ' HG2' ' HB2' ' A' ' -9' ' ' HIS . 29.6 pt20 -75.43 109.99 9.43 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.25 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.65 79.83 1.6 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.17 130.94 35.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 57.2 mtpt 71.4 -53.9 0.68 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.901 0.88 . . . . 0.0 111.708 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt -61.21 -23.16 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' O ' HG21 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.559 HG13 ' HB1' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 HG21 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG13 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.65 0.262 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -107.31 145.59 32.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.753 0.311 . . . . 0.0 110.491 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 8.6 m -77.18 115.14 16.71 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . 0.454 ' C ' ' HG ' ' A' ' -10' ' ' SER . 25.8 t90 -67.87 -67.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' SER . . . . . 0.454 ' HG ' ' C ' ' A' ' -11' ' ' TRP . 40.1 p 52.71 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.536 1.134 . . . . 0.0 113.175 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -151.71 152.88 31.11 Favored Pre-proline 0 C--N 1.313 -1.018 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -66.65 123.63 11.33 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.146 1.897 . . . . 0.0 109.5 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.27 77.41 4.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.628 0.728 . . . . 0.0 112.609 -176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.46 100.36 4.96 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.35 -66.14 0.91 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -100.73 -18.24 16.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.906 0.384 . . . . 0.0 111.659 -176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt -90.09 -7.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -176.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.658 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.658 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.686 0.279 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -116.52 160.27 20.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.747 0.308 . . . . 0.0 110.783 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 19.4 p -81.23 -7.19 59.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -68.26 127.63 33.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 27.5 p -140.16 -1.51 1.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.673 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -165.37 154.99 11.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.615 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -53.42 140.05 64.15 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.881 2.387 . . . . 0.0 112.163 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -84.04 39.6 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.214 0.531 . . . . 0.0 110.872 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -99.66 39.96 1.27 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.963 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.17 -48.78 70.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.018 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.05 17.69 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.057 0.456 . . . . 0.0 111.054 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.536 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt -117.71 -68.74 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.69 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.69 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' HA ' HG13 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.614 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.455 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -88.33 -38.48 15.12 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 109.41 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.2 m -134.26 168.06 19.57 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.805 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -80.57 -80.76 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.452 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m 63.51 168.49 0.15 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.757 0.823 . . . . 0.0 112.412 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -150.97 160.76 31.57 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.237 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.0 113.17 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.134 1.889 . . . . 0.0 110.426 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -90.94 96.37 10.59 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.255 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' -2' ' ' GLU . 89.5 m-85 -136.81 87.37 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 111.978 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' -3' ' ' ILE . 10.9 pt-20 -120.16 136.2 54.7 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 73.61 -41.31 0.49 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.335 0.654 . . . . 0.0 109.804 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' -5' ' ' GLU . 17.7 pt -82.72 -165.13 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.219 176.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG12 HD23 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG13 ' HB1' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD23 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.477 0.179 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -54.96 111.33 0.81 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.223 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 69.6 m 62.81 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.644 0.778 . . . . 0.0 112.406 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -138.3 -22.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 34.3 t -50.35 124.73 11.07 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.485 0.49 . . . . 0.0 111.025 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -106.17 138.62 19.74 Favored Pre-proline 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.413 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.6 147.1 35.33 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.057 1.838 . . . . 0.0 110.927 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.01 125.96 30.44 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.471 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.601 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 42.4 m-85 -89.93 91.47 8.6 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.091 -175.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.57 -49.45 6.89 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.857 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -97.82 -0.55 44.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.138 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -105.01 -55.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.945 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . 0.601 ' HB3' ' O ' ' A' ' -6' ' ' PHE . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HG ' ' CD ' ' A' ' 61' ' ' GLU . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 HG13 ' HB1' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.529 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.529 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.538 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' HG ' ' A' ' 10' ' ' CYS . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 73.12 133.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.86 0.864 . . . . 0.0 110.598 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 20.8 t 64.7 -160.25 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -71.12 -31.38 67.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.619 0.247 . . . . 0.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 49.5 m 65.73 -67.16 0.14 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.69 0.796 . . . . 0.0 112.828 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -133.46 154.98 81.11 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.28 163.82 36.42 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.346 2.031 . . . . 0.0 110.5 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -104.06 138.05 41.14 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -123.17 142.58 50.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -96.15 -67.9 0.83 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.614 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 51.0 mtmt -97.76 -20.77 17.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.273 0.559 . . . . 0.0 110.446 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.591 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt -79.43 163.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.85 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.522 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.17 -84.24 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.859 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 11.2 p -101.34 123.19 45.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -82.2 166.82 19.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.053 0.454 . . . . 0.0 111.326 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.9 p -146.33 168.03 22.11 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.513 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -140.94 159.22 62.9 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.52 118.52 4.75 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.785 2.323 . . . . 0.0 111.567 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -90.03 131.81 35.71 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.198 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -99.54 126.2 45.45 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -86.42 -142.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.981 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 24.6 pttm -48.28 -29.82 4.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.356 0.663 . . . . 0.0 112.068 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.09 -44.73 29.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.811 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.53 HG13 ' HB2' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.479 0.178 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 60.17 -164.7 0.22 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 23.3 t -94.04 120.33 34.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -73.1 155.84 39.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.435 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 10.0 t -71.86 85.0 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.311 0.577 . . . . 0.0 111.105 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -90.39 147.95 37.85 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.759 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.5 58.67 5.91 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.121 2.548 . . . . 0.0 111.685 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 66.93 -157.49 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.91 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 72.64 120.69 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.433 0.693 . . . . 0.0 110.376 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 -80.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.051 0.453 . . . . 0.0 110.137 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -96.88 -26.86 14.93 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.435 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt -61.88 -19.08 20.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.196 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.643 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.503 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.505 HG13 ' HB1' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.27 31.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.508 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 21.5 t -93.73 174.9 6.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -71.76 143.33 49.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 17.9 t -137.24 155.63 49.26 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 120.757 0.313 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -61.21 157.34 44.26 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.865 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.07 113.8 1.25 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.447 2.098 . . . . 0.0 111.051 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -74.6 139.33 43.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.796 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -111.24 154.04 25.01 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.505 ' OE1' HG12 ' A' ' -3' ' ' ILE . 0.0 OUTLIER -111.1 -50.86 2.91 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.733 179.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.422 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 35.6 mtmm -135.38 -27.92 1.17 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.505 HG12 ' OE1' ' A' ' -5' ' ' GLU . 21.8 pt -58.11 -26.36 29.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.718 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.718 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 1.9 tp-100 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.07 33.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.706 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 5.9 p -76.24 102.0 5.66 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.923 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -57.33 137.81 55.61 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.241 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.5 m -141.52 98.66 3.4 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -177.88 154.03 0.96 Allowed Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.97 125.68 17.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.666 1.577 . . . . 0.0 110.434 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -81.17 101.41 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.642 0.734 . . . . 0.0 110.584 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.45 ' HB3' HG13 ' A' ' -3' ' ' ILE . 15.0 m-85 -68.62 123.85 22.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.221 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' -4' ' ' LYS . 4.2 pt-20 -95.5 -78.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' -5' ' ' GLU . 53.5 mtpt -82.43 -39.69 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' A' ' -6' ' ' PHE . 16.2 pt -56.9 -29.86 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.569 ' HA ' ' CD ' ' A' ' 59' ' ' GLU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.569 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 120.645 0.259 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -78.88 -71.33 0.44 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.997 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 40.8 m -73.2 -50.69 21.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.032 0.444 . . . . 0.0 110.709 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -93.04 135.25 34.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.992 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.6 t -118.94 -74.76 0.59 Allowed 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.289 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -176.58 158.68 1.59 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-O 120.325 0.107 . . . . 0.0 110.8 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -71.75 174.36 11.23 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.733 2.288 . . . . 0.0 110.489 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -91.82 29.74 1.51 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -120.63 121.8 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . 0.668 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -104.51 -77.05 0.58 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.668 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 37.8 mtmm -92.6 -33.67 14.32 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.432 HG12 ' OE1' ' A' ' -5' ' ' GLU . 24.5 pt -61.4 -25.98 38.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.392 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.433 HG12 HD23 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 12' ' ' ILE . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.7 ttp . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.641 0.258 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -128.03 -58.9 1.2 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.782 0.325 . . . . 0.0 110.858 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.29 -0.73 40.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -57.01 109.7 0.69 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.547 0.689 . . . . 0.0 112.028 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 5.3 p -165.0 98.5 0.75 Allowed 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.381 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.43 138.82 96.52 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.48 113.81 1.54 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.666 2.244 . . . . 0.0 111.935 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.22 102.54 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.543 0.687 . . . . 0.0 111.199 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' -2' ' ' GLU . 41.5 m-85 -107.35 92.16 3.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.87 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.75 -67.97 0.76 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.038 0.447 . . . . 0.0 111.146 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -92.55 20.64 6.1 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 42.4 mt -117.15 -58.26 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.276 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' -6' ' ' PHE . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HG ' ' CD ' ' A' ' 61' ' ' GLU . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -100.53 122.52 43.37 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 25.8 t -88.2 127.7 35.45 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 -80.68 149.74 29.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.038 0.447 . . . . 0.0 110.74 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.5 p -142.09 -44.67 0.34 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.856 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -140.98 106.39 6.24 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.354 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.15 139.76 74.35 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.187 1.925 . . . . 0.0 109.699 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -84.71 97.56 9.73 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.235 0.541 . . . . 0.0 111.174 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.51 100.65 12.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.656 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -74.42 -77.83 0.11 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.008 0.433 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -101.15 -10.27 20.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.123 0.487 . . . . 0.0 109.998 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt -58.89 -50.56 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.538 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 HD22 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' H ' HD12 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.437 HG21 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD22 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.555 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 50' ' ' ARG . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 48' ' ' ASP . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -1' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.541 HG13 HD23 ' A' ' 24' ' ' LEU . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.646 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 12' ' ' ILE . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 30.7 pt . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.613 0.244 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.618 HG13 HD21 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 44' ' ' ILE . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 34' ' ' LYS . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' SER . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.518 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 12' ' ' ILE . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.578 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.578 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 8.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 13' ' ' ARG . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.477 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.603 0.24 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 HD21 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 9' ' ' VAL . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 47' ' ' PHE . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.41 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 120.634 0.254 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 8.7 mm100 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.556 HG12 HD21 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' H ' ' CG1' ' A' ' 20' ' ' ILE . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' CG1' ' H ' ' A' ' 17' ' ' ALA . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' ILE . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 34' ' ' LYS . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' -2' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG12 HD23 ' A' ' 24' ' ' LEU . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 11' ' ' ARG . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 17' ' ' ALA . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 9' ' ' VAL . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 44' ' ' ILE . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 34' ' ' LYS . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.223 -0.331 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 0' ' ' ARG . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG22 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.631 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.631 HG13 ' HB3' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.508 HG12 HG22 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' HA ' HG12 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt . . . . . 0 C--O 1.234 0.25 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.656 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 24' ' ' LEU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 12' ' ' ILE . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' -3' ' ' ILE . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.535 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.697 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.697 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.621 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HG22 ' A' ' 21' ' ' ILE . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 18' ' ' GLN . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 44' ' ' ILE . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 34' ' ' LYS . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 17.7 pt . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -2' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 62' ' ' VAL . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 24' ' ' LEU . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 HD21 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' ILE . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HA ' ' HA3' ' A' ' 28' ' ' GLY . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' HD3' ' A' ' 13' ' ' ARG . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 7' ' ' VAL . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.595 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 60' ' ' VAL . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.523 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.523 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.537 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 9' ' ' VAL . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.601 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.547 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 HD23 ' A' ' 24' ' ' LEU . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 HG13 ' A' ' 12' ' ' ILE . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 59' ' ' GLU . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.738 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.738 HG13 ' HB3' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.426 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.653 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.653 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.528 HG21 HG22 ' A' ' 16' ' ' VAL . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.528 HG22 HG21 ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 7' ' ' VAL . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 57' ' ' GLU . 21.8 pt . . . . . 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.729 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 17' ' ' ALA . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.0 tp60 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.429 HD11 HG13 ' A' ' 7' ' ' VAL . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 44' ' ' ILE . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 34' ' ' LYS . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' -3' ' ' ILE . . . . . 0.421 ' HA ' ' CG ' ' A' ' 0' ' ' ARG . 16.2 pt . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 0' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 24' ' ' LEU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.403 ' CB ' ' HG ' ' A' ' 39' ' ' SER . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.403 ' HG ' ' CB ' ' A' ' 36' ' ' THR . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.566 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 24.5 pt . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.542 0.211 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 62' ' ' VAL . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 24' ' ' LEU . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 HD11 ' H ' ' A' ' 17' ' ' ALA . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 9' ' ' VAL . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 7' ' ' VAL . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 42.4 mt . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.716 0.293 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 24' ' ' LEU . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.564 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.481 ' HE1' HG11 ' A' ' 7' ' ' VAL . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG11 ' HE1' ' A' ' 1' ' ' MET . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HA ' HG12 ' A' ' 60' ' ' VAL . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.595 HG12 HD23 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.569 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 9' ' ' VAL . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -169.78 -22.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.43 0.456 . . . . 0.0 111.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.7 t 70.17 -72.45 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.338 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -148.5 -2.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.1 t -53.92 138.33 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.96 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -94.09 166.14 16.23 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.156 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -48.35 120.53 5.15 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.312 2.008 . . . . 0.0 110.62 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -88.21 109.67 20.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -132.32 126.17 32.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -85.71 -71.13 0.55 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.555 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 25.3 pttm -115.09 -20.92 10.26 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.52 HG12 ' OE1' ' A' ' -5' ' ' GLU . 41.5 pt -71.51 -9.77 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.399 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.541 HG13 HD23 ' A' ' 24' ' ' LEU . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.646 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 12' ' ' ILE . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -61.11 126.51 27.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 9.5 t -78.09 161.22 27.58 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 70.72 118.12 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.458 0.647 . . . . 0.0 111.239 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 42.6 m -115.06 134.36 55.24 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.401 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 143.59 76.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -49.91 -57.66 2.18 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.626 2.217 . . . . 0.0 111.207 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -174.89 -107.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.586 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.719 ' O ' ' HG3' ' A' ' -2' ' ' GLU . 9.1 m-85 53.75 25.23 4.93 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.093 0.557 . . . . 0.0 110.933 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -56.9 142.27 41.95 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 75.24 -40.51 0.43 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.867 0.729 . . . . 0.0 112.045 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt -87.39 -11.86 10.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.719 ' HG3' ' O ' ' A' ' -6' ' ' PHE . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -109.43 -169.83 1.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 52.3 m 62.86 38.1 11.69 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.157 0.504 . . . . 0.0 111.277 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -72.47 123.78 23.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 24.8 m -101.95 115.84 31.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.389 0.614 . . . . 0.0 110.677 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -103.23 107.22 54.81 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.319 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.64 -7.79 20.67 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.71 2.273 . . . . 0.0 112.679 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -75.78 88.18 2.82 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 110.127 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -100.07 144.36 29.2 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.455 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.91 -128.34 0.06 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.488 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.01 6.29 3.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.439 0.638 . . . . 0.0 110.755 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -96.77 -3.81 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.618 HG13 HD21 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 44' ' ' ILE . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 34' ' ' LYS . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' SER . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.518 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -70.3 134.86 48.38 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 17.5 m -94.79 176.36 6.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -65.81 155.21 36.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.095 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 50.9 m -154.9 141.31 18.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -114.36 146.7 36.38 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.28 106.09 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.531 2.154 . . . . 0.0 111.665 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -89.64 109.23 20.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -117.17 148.14 41.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -80.94 -89.98 0.07 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.53 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -126.22 19.02 7.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -97.99 -11.95 8.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.032 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 12' ' ' ILE . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.578 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 8.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 13' ' ' ARG . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.477 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.058 0.456 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -162.98 173.78 13.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.8 t -87.62 130.93 34.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 58.5 119.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 112.813 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.8 m -119.66 -29.87 4.94 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.558 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 6.9 p80 -140.86 122.08 9.1 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -8' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 22.6 Cg_exo -65.47 -35.63 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.307 2.005 . . . . 0.0 111.355 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 64.63 86.68 0.12 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.543 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.54 ' HB3' ' HB ' ' A' ' -3' ' ' ILE . 73.8 m-85 -94.52 72.37 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.963 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -35.82 -85.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.733 1.213 . . . . 0.0 113.804 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -100.15 12.76 36.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.122 0.486 . . . . 0.0 110.066 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 21.5 mt -92.77 -53.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.561 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 HD21 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 9' ' ' VAL . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 47' ' ' PHE . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -145.17 -166.02 2.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.169 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 7.3 m -61.54 -38.71 88.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 0.0 110.868 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -136.73 -84.59 0.35 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.121 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 50.1 m 60.48 170.84 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.158 0.583 . . . . 0.0 111.79 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -71.71 146.58 91.12 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.52 117.13 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.197 1.931 . . . . 0.0 110.899 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.91 132.33 34.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -106.22 125.65 51.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.0 -72.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.697 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 0' ' ' ARG . 57.2 mttp -133.2 57.76 1.79 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.41 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt -129.42 -51.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.082 -175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 8.7 mm100 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.556 HG12 HD21 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' H ' ' CG1' ' A' ' 20' ' ' ILE . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' CG1' ' H ' ' A' ' 17' ' ' ALA . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' ILE . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 34' ' ' LYS . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 25.4 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -66.11 133.79 51.46 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.882 0.372 . . . . 0.0 110.647 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 13.2 m -94.69 126.48 40.02 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.999 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.77 -81.64 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 60.1 p 54.01 116.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.325 1.05 . . . . 0.0 112.723 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -9' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 0.3 OUTLIER -49.3 132.21 17.35 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.521 -178.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' -8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 34.7 Cg_exo -58.57 -23.62 65.87 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.15 2.567 . . . . 0.0 113.211 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 42.01 74.46 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.776 0.83 . . . . 0.0 113.198 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -81.21 96.73 7.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.73 -87.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.303 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.67 -13.79 36.21 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt -60.28 -50.2 81.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG12 HD23 ' A' ' 24' ' ' LEU . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 11' ' ' ARG . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 17' ' ' ALA . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 9' ' ' VAL . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 44' ' ' ILE . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 34' ' ' LYS . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.324 0.107 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 65.47 -73.95 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.719 0.808 . . . . 0.0 112.399 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 33.5 p -161.25 -45.03 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.39 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -90.42 115.92 27.96 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.085 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 25.0 m -143.56 -62.01 0.4 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -9' ' ' HIS . . . . . 0.424 ' HB2' ' HG2' ' A' ' -7' ' ' GLN . 29.8 p-80 -173.88 91.47 0.34 Allowed Pre-proline 0 C--O 1.219 -0.542 0 CA-C-O 121.497 0.665 . . . . 0.0 111.408 173.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.46 25.21 0.61 Allowed 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 122.754 2.303 . . . . 0.0 109.286 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' -9' ' ' HIS . 29.6 pt20 -75.43 109.99 9.43 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.25 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.65 79.83 1.6 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.17 130.94 35.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 57.2 mtpt 71.4 -53.9 0.68 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.901 0.88 . . . . 0.0 111.708 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt -61.21 -23.16 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG22 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.631 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.631 HG13 ' HB3' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.508 HG12 HG22 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' HA ' HG12 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.65 0.262 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -107.31 145.59 32.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.753 0.311 . . . . 0.0 110.491 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 8.6 m -77.18 115.14 16.71 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -67.87 -67.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 40.1 p 52.71 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.536 1.134 . . . . 0.0 113.175 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -151.71 152.88 31.11 Favored Pre-proline 0 C--N 1.313 -1.018 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -66.65 123.63 11.33 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.146 1.897 . . . . 0.0 109.5 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.27 77.41 4.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.628 0.728 . . . . 0.0 112.609 -176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.46 100.36 4.96 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' -5' ' ' GLU . 6.9 pt-20 -79.35 -66.14 0.91 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -173.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -100.73 -18.24 16.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.906 0.384 . . . . 0.0 111.659 -176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt -90.09 -7.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -176.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.656 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 24' ' ' LEU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 12' ' ' ILE . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.531 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' -3' ' ' ILE . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.686 0.279 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -116.52 160.27 20.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.747 0.308 . . . . 0.0 110.783 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 19.4 p -81.23 -7.19 59.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -68.26 127.63 33.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 27.5 p -140.16 -1.51 1.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.673 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -165.37 154.99 11.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.615 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -53.42 140.05 64.15 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.881 2.387 . . . . 0.0 112.163 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -84.04 39.6 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.214 0.531 . . . . 0.0 110.872 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.431 ' HB3' ' H ' ' A' ' -2' ' ' GLU . 24.4 m-85 -99.66 39.96 1.27 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.963 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.17 -48.78 70.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.018 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.05 17.69 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.057 0.456 . . . . 0.0 111.054 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.535 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt -117.71 -68.74 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.431 ' H ' ' HB3' ' A' ' -6' ' ' PHE . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.697 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.697 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.621 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HG22 ' A' ' 21' ' ' ILE . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 18' ' ' GLN . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 44' ' ' ILE . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 34' ' ' LYS . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -88.33 -38.48 15.12 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 109.41 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.2 m -134.26 168.06 19.57 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.805 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -80.57 -80.76 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.452 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m 63.51 168.49 0.15 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.757 0.823 . . . . 0.0 112.412 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -150.97 160.76 31.57 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.237 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.0 113.17 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.134 1.889 . . . . 0.0 110.426 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -90.94 96.37 10.59 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.255 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.442 ' HB3' ' HB2' ' A' ' -2' ' ' GLU . 89.5 m-85 -136.81 87.37 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 111.978 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' -3' ' ' ILE . 10.9 pt-20 -120.16 136.2 54.7 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 73.61 -41.31 0.49 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.335 0.654 . . . . 0.0 109.804 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 17.7 pt -82.72 -165.13 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.219 176.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 62' ' ' VAL . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 24' ' ' LEU . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 HD21 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' ILE . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HA ' ' HA3' ' A' ' 28' ' ' GLY . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' HD3' ' A' ' 13' ' ' ARG . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 7' ' ' VAL . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.595 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.477 0.179 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -54.96 111.33 0.81 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.223 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 69.6 m 62.81 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.644 0.778 . . . . 0.0 112.406 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -138.3 -22.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 34.3 t -50.35 124.73 11.07 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.485 0.49 . . . . 0.0 111.025 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -106.17 138.62 19.74 Favored Pre-proline 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.413 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.6 147.1 35.33 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.057 1.838 . . . . 0.0 110.927 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.01 125.96 30.44 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.471 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 42.4 m-85 -89.93 91.47 8.6 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.091 -175.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.57 -49.45 6.89 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.857 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -97.82 -0.55 44.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.138 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -105.01 -55.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.945 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' -6' ' ' PHE . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 60' ' ' VAL . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.523 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.523 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.537 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 9' ' ' VAL . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 73.12 133.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.86 0.864 . . . . 0.0 110.598 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 20.8 t 64.7 -160.25 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -71.12 -31.38 67.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.619 0.247 . . . . 0.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 49.5 m 65.73 -67.16 0.14 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.69 0.796 . . . . 0.0 112.828 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -133.46 154.98 81.11 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.28 163.82 36.42 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.346 2.031 . . . . 0.0 110.5 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -104.06 138.05 41.14 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -123.17 142.58 50.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -96.15 -67.9 0.83 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.614 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 51.0 mtmt -97.76 -20.77 17.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.273 0.559 . . . . 0.0 110.446 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.601 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt -79.43 163.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.85 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.547 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 HD23 ' A' ' 24' ' ' LEU . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 HG13 ' A' ' 12' ' ' ILE . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.17 -84.24 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.859 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 11.2 p -101.34 123.19 45.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -82.2 166.82 19.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.053 0.454 . . . . 0.0 111.326 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.9 p -146.33 168.03 22.11 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.513 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -140.94 159.22 62.9 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.52 118.52 4.75 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.785 2.323 . . . . 0.0 111.567 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -90.03 131.81 35.71 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.198 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -99.54 126.2 45.45 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -86.42 -142.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.981 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 24.6 pttm -48.28 -29.82 4.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.356 0.663 . . . . 0.0 112.068 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.09 -44.73 29.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.811 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 59' ' ' GLU . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.738 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.738 HG13 ' HB3' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.479 0.178 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 60.17 -164.7 0.22 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 23.3 t -94.04 120.33 34.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -73.1 155.84 39.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.435 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 10.0 t -71.86 85.0 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.311 0.577 . . . . 0.0 111.105 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 13.9 p80 -90.39 147.95 37.85 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.759 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -8' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 2.9 Cg_exo -76.5 58.67 5.91 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.121 2.548 . . . . 0.0 111.685 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 66.93 -157.49 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.91 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 72.64 120.69 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.433 0.693 . . . . 0.0 110.376 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 -80.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.051 0.453 . . . . 0.0 110.137 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -96.88 -26.86 14.93 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.426 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt -61.88 -19.08 20.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.196 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.653 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.653 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG21 HG22 ' A' ' 16' ' ' VAL . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.528 HG22 HG21 ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 7' ' ' VAL . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.27 31.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.508 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 21.5 t -93.73 174.9 6.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -71.76 143.33 49.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 17.9 t -137.24 155.63 49.26 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 120.757 0.313 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -61.21 157.34 44.26 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.865 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.07 113.8 1.25 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.447 2.098 . . . . 0.0 111.051 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -74.6 139.33 43.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.796 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -111.24 154.04 25.01 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.512 ' OE1' HG12 ' A' ' -3' ' ' ILE . 0.0 OUTLIER -111.1 -50.86 2.91 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.733 179.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.408 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 35.6 mtmm -135.38 -27.92 1.17 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.512 HG12 ' OE1' ' A' ' -5' ' ' GLU . 21.8 pt -58.11 -26.36 29.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.729 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 17' ' ' ALA . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.0 tp60 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.429 HD11 HG13 ' A' ' 7' ' ' VAL . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 44' ' ' ILE . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 34' ' ' LYS . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.07 33.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.706 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 5.9 p -76.24 102.0 5.66 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.923 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -57.33 137.81 55.61 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.241 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.5 m -141.52 98.66 3.4 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -177.88 154.03 0.96 Allowed Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.97 125.68 17.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.666 1.577 . . . . 0.0 110.434 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -81.17 101.41 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.642 0.734 . . . . 0.0 110.584 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' -3' ' ' ILE . 15.0 m-85 -68.62 123.85 22.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.221 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' -4' ' ' LYS . 4.2 pt-20 -95.5 -78.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.467 ' H ' ' HG3' ' A' ' -5' ' ' GLU . 53.5 mtpt -82.43 -39.69 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' -6' ' ' PHE . 16.2 pt -56.9 -29.86 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 24' ' ' LEU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.403 ' CB ' ' HG ' ' A' ' 39' ' ' SER . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.403 ' HG ' ' CB ' ' A' ' 36' ' ' THR . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.566 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 120.645 0.259 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -78.88 -71.33 0.44 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.997 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 40.8 m -73.2 -50.69 21.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.032 0.444 . . . . 0.0 110.709 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -93.04 135.25 34.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.992 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.6 t -118.94 -74.76 0.59 Allowed 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.289 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -176.58 158.68 1.59 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-O 120.325 0.107 . . . . 0.0 110.8 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -71.75 174.36 11.23 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.733 2.288 . . . . 0.0 110.489 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -91.82 29.74 1.51 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -120.63 121.8 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLU . . . . . 0.689 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -104.51 -77.05 0.58 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.689 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 37.8 mtmm -92.6 -33.67 14.32 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.439 HG12 ' OE1' ' A' ' -5' ' ' GLU . 24.5 pt -61.4 -25.98 38.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.392 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 62' ' ' VAL . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 24' ' ' LEU . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 HD11 ' H ' ' A' ' 17' ' ' ALA . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 9' ' ' VAL . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 7' ' ' VAL . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.7 ttp . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.641 0.258 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -128.03 -58.9 1.2 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.782 0.325 . . . . 0.0 110.858 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.29 -0.73 40.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -57.01 109.7 0.69 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.547 0.689 . . . . 0.0 112.028 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 5.3 p -165.0 98.5 0.75 Allowed 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.381 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.43 138.82 96.52 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.48 113.81 1.54 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.666 2.244 . . . . 0.0 111.935 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.22 102.54 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.543 0.687 . . . . 0.0 111.199 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' -2' ' ' GLU . 41.5 m-85 -107.35 92.16 3.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.87 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.75 -67.97 0.76 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.038 0.447 . . . . 0.0 111.146 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -92.55 20.64 6.1 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 42.4 mt -117.15 -58.26 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.276 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' -6' ' ' PHE . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 24' ' ' LEU . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.564 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -100.53 122.52 43.37 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 25.8 t -88.2 127.7 35.45 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 -80.68 149.74 29.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.038 0.447 . . . . 0.0 110.74 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.5 p -142.09 -44.67 0.34 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.856 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -140.98 106.39 6.24 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.354 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.15 139.76 74.35 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.187 1.925 . . . . 0.0 109.699 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -84.71 97.56 9.73 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.235 0.541 . . . . 0.0 111.174 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.51 100.65 12.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.656 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -74.42 -77.83 0.11 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.008 0.433 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -101.15 -10.27 20.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.123 0.487 . . . . 0.0 109.998 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt -58.89 -50.56 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.538 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HE1' HG11 ' A' ' 7' ' ' VAL . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG11 ' HE1' ' A' ' 1' ' ' MET . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HA ' HG12 ' A' ' 60' ' ' VAL . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.595 HG12 HD23 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.569 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 9' ' ' VAL . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.541 HG13 HD23 ' A' ' 24' ' ' LEU . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.646 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 12' ' ' ILE . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 30.7 pt . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.613 0.244 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.618 HG13 HD21 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 44' ' ' ILE . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 34' ' ' LYS . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' SER . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.518 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA2' HE21 ' A' ' 29' ' ' GLN . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 12' ' ' ILE . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.578 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.578 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 50.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 13' ' ' ARG . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.477 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.603 0.24 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 HD21 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 9' ' ' VAL . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 47' ' ' PHE . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.41 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt . . . . . 0 C--O 1.216 -0.695 0 CA-C-O 120.634 0.254 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.3 mm-40 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.556 HG12 HD21 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.413 ' H ' ' CG1' ' A' ' 20' ' ' ILE . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' CG1' ' H ' ' A' ' 17' ' ' ALA . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' ILE . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 34' ' ' LYS . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG12 HD23 ' A' ' 24' ' ' LEU . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 11' ' ' ARG . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 17' ' ' ALA . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 9' ' ' VAL . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 44' ' ' ILE . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 34' ' ' LYS . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.223 -0.331 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 0' ' ' ARG . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG22 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.631 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.631 HG13 ' HB3' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.508 HG12 HG22 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' HA ' HG12 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt . . . . . 0 C--O 1.234 0.25 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.656 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 24' ' ' LEU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 12' ' ' ILE . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' -3' ' ' ILE . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.535 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.697 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.697 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.621 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HG22 ' A' ' 21' ' ' ILE . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 18' ' ' GLN . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 44' ' ' ILE . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 34' ' ' LYS . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 17.7 pt . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 62' ' ' VAL . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 24' ' ' LEU . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 HD21 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' ILE . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HA ' ' HA3' ' A' ' 28' ' ' GLY . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' HD3' ' A' ' 13' ' ' ARG . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 7' ' ' VAL . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.595 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 60' ' ' VAL . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.523 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.523 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.537 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 9' ' ' VAL . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.601 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.547 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 HD23 ' A' ' 24' ' ' LEU . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 HG13 ' A' ' 12' ' ' ILE . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 59' ' ' GLU . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.738 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.738 HG13 ' HB3' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.426 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.653 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.653 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.528 HG21 HG22 ' A' ' 16' ' ' VAL . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.528 HG22 HG21 ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 7' ' ' VAL . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.424 HG21 ' HB3' ' A' ' 57' ' ' GLU . 21.8 pt . . . . . 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.729 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 17' ' ' ALA . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 1.9 tp-100 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.429 HD11 HG13 ' A' ' 7' ' ' VAL . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 44' ' ' ILE . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 34' ' ' LYS . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . 0.421 ' HA ' ' CG ' ' A' ' 0' ' ' ARG . 16.2 pt . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 24' ' ' LEU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.403 ' CB ' ' HG ' ' A' ' 39' ' ' SER . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.403 ' HG ' ' CB ' ' A' ' 36' ' ' THR . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.566 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 24.5 pt . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.542 0.211 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 62' ' ' VAL . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 24' ' ' LEU . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 HD11 ' H ' ' A' ' 17' ' ' ALA . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 9' ' ' VAL . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 7' ' ' VAL . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 42.4 mt . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.716 0.293 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 24' ' ' LEU . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.564 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 120.64 0.257 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.481 ' HE1' HG11 ' A' ' 7' ' ' VAL . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG11 ' HE1' ' A' ' 1' ' ' MET . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HA ' HG12 ' A' ' 60' ' ' VAL . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.595 HG12 HD23 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.569 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 9' ' ' VAL . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 15.8 tmm? . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -169.78 -22.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.43 0.456 . . . . 0.0 111.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.7 t 70.17 -72.45 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.338 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -148.5 -2.51 0.5 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.1 t -53.92 138.33 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.96 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -94.09 166.14 16.23 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.156 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -48.35 120.53 5.15 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 122.312 2.008 . . . . 0.0 110.62 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -88.21 109.67 20.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -132.32 126.17 32.68 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -85.71 -71.13 0.55 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.555 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 25.3 pttm -115.09 -20.92 10.26 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.52 HG12 ' OE1' ' A' ' -5' ' ' GLU . 41.5 pt -71.51 -9.77 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.399 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.45 -49.2 75.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 0' ' ' ARG . . . -105.37 23.46 30.15 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.312 -0.946 . . . . 0.0 113.26 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' -1' ' ' GLY . 39.8 mmt-85 -127.62 -47.58 1.41 Allowed 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 121.234 0.54 . . . . 0.0 110.195 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mmm -102.19 123.24 45.68 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.439 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.49 142.44 37.32 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.905 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 m -65.7 129.18 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 110.261 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 -24.18 24.39 Favored Glycine 0 C--N 1.312 -0.765 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -79.19 150.72 31.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 61.3 mttp -96.55 148.51 22.76 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.925 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.3 m -138.57 148.7 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.636 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -123.86 133.01 53.86 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.777 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -75.03 109.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 4.0 m -88.96 -39.35 13.8 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.006 0.432 . . . . 0.0 111.535 -176.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 ptt-85 -151.59 132.29 14.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.451 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.541 HG13 HD23 ' A' ' 24' ' ' LEU . 69.3 mt -88.07 116.0 29.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -63.47 -63.4 1.19 Allowed 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.646 ' OD1' ' HD2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -96.48 -99.53 0.18 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.646 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -100.57 142.44 32.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.241 -175.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.7 p -108.74 115.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.982 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -87.03 166.2 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.35 -33.76 72.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.45 -43.52 23.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.547 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 17' ' ' ALA . 27.3 mt -64.2 -38.83 83.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.642 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 16' ' ' VAL . 15.7 tt -61.85 -22.79 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.085 0.469 . . . . 0.0 111.262 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -69.47 -36.9 77.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.538 0.685 . . . . 0.0 109.394 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -15.06 55.78 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.244 -176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 HG13 ' A' ' 12' ' ' ILE . 2.9 tm? -67.7 118.79 11.44 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.74 -4.01 83.41 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.738 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -96.06 146.15 24.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.3 t -95.84 134.76 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.917 0.389 . . . . 0.0 111.011 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -177.3 14.87 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 41.5 tt0 -125.75 136.87 53.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.477 0.638 . . . . 0.0 111.594 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.89 121.28 20.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.9 p -114.58 -2.16 13.19 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.077 0.465 . . . . 0.0 111.304 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 179.29 40.49 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.145 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.97 161.61 18.58 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -138.2 148.89 45.28 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 137.83 32.07 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.3 p -131.04 155.52 46.73 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.024 0.44 . . . . 0.0 110.707 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -107.15 -1.24 22.12 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.56 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.52 -39.18 7.84 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-N 115.487 -0.779 . . . . 0.0 113.122 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 49.2 m -150.57 13.58 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.1 -94.96 1.01 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 119.807 -1.187 . . . . 0.0 113.803 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.6 145.13 11.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.417 0.627 . . . . 0.0 112.374 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.88 156.4 20.15 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.14 127.97 75.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.81 0.305 . . . . 0.0 110.462 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.0 112.68 23.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.27 124.1 69.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.212 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -99.22 123.92 43.89 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -100.45 174.8 5.93 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.007 0.432 . . . . 0.0 111.734 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.63 -15.6 58.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.952 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -75.76 1.42 14.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.428 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 68.6 15.75 9.08 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.222 0.609 . . . . 0.0 110.57 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 m -109.52 140.97 42.65 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 p -113.94 125.99 54.65 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -135.13 160.94 36.78 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.8 p-90 -105.49 137.33 43.5 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.144 0.497 . . . . 0.0 111.787 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -129.69 168.08 17.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.277 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 65.9 m-85 -91.23 160.44 15.53 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -53.53 11.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.481 -1.236 . . . . 0.0 113.775 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.64 -11.72 53.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.286 0.565 . . . . 0.0 111.581 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.7 tt0 -76.93 -17.23 59.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.57 -174.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.93 160.1 35.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.1 pt-20 -112.94 146.28 39.28 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -93.98 124.36 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.2 m -130.44 163.91 34.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.916 0 CA-C-O 118.169 -1.351 . . . . 0.0 111.318 -178.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -61.11 126.51 27.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 9.5 t -78.09 161.22 27.58 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 70.72 118.12 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.458 0.647 . . . . 0.0 111.239 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 42.6 m -115.06 134.36 55.24 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.401 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.82 143.59 76.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.124 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -49.91 -57.66 2.18 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.626 2.217 . . . . 0.0 111.207 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -174.89 -107.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.586 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.719 ' O ' ' HG3' ' A' ' -2' ' ' GLU . 9.1 m-85 53.75 25.23 4.93 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.093 0.557 . . . . 0.0 110.933 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -56.9 142.27 41.95 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 75.24 -40.51 0.43 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.867 0.729 . . . . 0.0 112.045 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.43 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 23.5 pt -87.39 -11.86 10.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.719 ' HG3' ' O ' ' A' ' -6' ' ' PHE . 52.7 mt-10 -55.77 126.05 23.9 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.708 0.29 . . . . 0.0 111.475 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.05 -29.91 6.65 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.102 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.5 -55.51 3.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.9 ptp -118.61 121.16 39.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.834 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -145.0 169.46 18.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -61.21 119.22 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.193 0.52 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -18.92 20.39 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.873 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -82.85 162.38 21.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.656 0.265 . . . . 0.0 110.71 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 55.8 mtpt -106.42 139.09 41.44 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.955 0.407 . . . . 0.0 110.45 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.86 146.74 31.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -118.51 139.3 51.66 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.564 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.31 101.71 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 8.0 p -81.04 -36.76 30.13 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.124 0.487 . . . . 0.0 110.825 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.8 ptt180 -145.61 167.13 23.8 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.194 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 13' ' ' ARG . 12.8 mm -131.48 145.01 35.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-O 120.639 0.256 . . . . 0.0 110.936 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' ILE . 6.9 ptp180 -50.69 166.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.98 0.912 . . . . 0.0 110.465 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.77 66.43 2.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.279 0.561 . . . . 0.0 110.869 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -177.06 95.41 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.715 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.37 114.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.446 0.641 . . . . 0.0 112.213 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.79 169.29 12.73 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.754 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.44 -32.25 68.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 111.152 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.22 -44.63 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.5 mt -59.49 -36.45 64.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.706 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.26 -25.46 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.005 0.431 . . . . 0.0 110.903 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -78.2 -27.44 47.84 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.367 0.603 . . . . 0.0 110.141 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.6 mmtp -77.06 -16.72 59.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.196 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 12' ' ' ILE . 1.4 tm? -63.89 108.73 1.55 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.49 -11.3 61.41 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.573 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -81.15 143.46 32.37 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 t -106.75 137.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.64 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.68 -179.29 20.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.728 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -112.49 145.05 40.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.874 0.369 . . . . 0.0 110.702 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.7 mt -78.78 114.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.322 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 p -106.12 -2.32 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.019 0.438 . . . . 0.0 111.151 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.33 171.11 32.09 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.154 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -108.09 165.01 11.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.783 0.325 . . . . 0.0 110.651 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB2' HG13 ' A' ' 44' ' ' ILE . 39.4 tttm -147.35 152.89 38.96 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -82.23 142.69 31.93 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.426 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.6 p -96.77 -167.19 1.52 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.037 0.446 . . . . 0.0 110.701 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.93 -4.17 48.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.681 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.07 -17.8 2.54 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.994 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 m -90.85 92.42 8.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.936 0.368 . . . . 0.0 111.42 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.41 -158.9 30.69 Favored Glycine 0 C--N 1.331 0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.938 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -98.86 151.79 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.65 147.15 16.97 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.714 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 43.2 t -112.89 123.41 68.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 34' ' ' LYS . 56.0 mt -85.62 101.03 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.32 126.99 46.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.43 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -107.87 112.22 24.73 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 70.0 m-85 -85.43 169.82 13.29 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.153 -175.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.21 -18.02 65.09 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.074 0.464 . . . . 0.0 111.2 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 32.4 t70 -77.35 -4.98 47.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.109 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 29.6 mmm180 79.85 2.22 2.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.039 0.935 . . . . 0.0 111.215 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -77.77 137.97 38.75 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.489 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -121.34 129.48 53.11 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.515 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 8.0 m -146.77 146.27 30.22 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 53.3 p-90 -95.54 135.16 37.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.034 0.445 . . . . 0.0 110.259 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 93.3 m-85 -130.21 162.39 29.02 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.857 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -77.48 150.34 34.91 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.42 -31.25 61.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.73 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.39 -14.03 31.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.51 0.671 . . . . 0.0 110.829 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 37.5 tt0 -85.76 -22.04 27.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.715 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.17 168.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.556 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -137.28 148.75 46.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.64 126.16 37.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.55 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 t -133.5 109.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.518 0 CA-C-O 118.386 -1.23 . . . . 0.0 111.373 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.773 0.321 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -109.43 -169.83 1.55 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 52.3 m 62.86 38.1 11.69 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.157 0.504 . . . . 0.0 111.277 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -72.47 123.78 23.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 24.8 m -101.95 115.84 31.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.389 0.614 . . . . 0.0 110.677 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -103.23 107.22 54.81 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.319 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.64 -7.79 20.67 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.71 2.273 . . . . 0.0 112.679 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -75.78 88.18 2.82 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.361 0.601 . . . . 0.0 110.127 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -100.07 144.36 29.2 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.455 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.91 -128.34 0.06 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.488 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.01 6.29 3.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.439 0.638 . . . . 0.0 110.755 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 30.7 pt -96.77 -3.81 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.996 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.68 -46.35 82.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -92.33 41.16 2.8 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.813 -0.708 . . . . 0.0 113.033 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -165.91 -52.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -93.63 115.97 28.45 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.913 0.387 . . . . 0.0 110.207 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -144.46 148.39 34.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.77 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.22 128.08 25.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 0.0 110.443 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.71 -14.31 56.27 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.781 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -77.04 152.82 34.94 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -96.58 130.82 43.7 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.311 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.33 146.89 32.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 120.924 0.392 . . . . 0.0 111.421 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -122.92 141.69 51.63 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.577 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t -81.93 110.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.015 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 61' ' ' GLU . 3.7 m -85.38 -30.82 23.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.085 -178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.4 ptt180 -159.41 169.53 23.75 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.212 -175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.618 HG13 HD21 ' A' ' 24' ' ' LEU . 88.9 mt -131.35 137.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -76.59 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 120.06 -0.656 . . . . 0.0 112.488 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -69.28 36.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -160.7 89.52 0.82 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -109.17 112.3 39.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.778 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -88.82 158.69 18.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' ILE . 50.8 tt0 -66.21 -37.26 85.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -75.5 -16.79 60.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.968 0.414 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ALA . 7.4 mm -93.41 -40.01 11.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.885 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' GLN . 13.3 tt -59.4 -24.74 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -73.07 -4.05 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 8.1 mmpt? -103.3 -2.82 26.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.836 0.35 . . . . 0.0 110.94 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 12' ' ' ILE . 18.0 mt -68.94 131.35 44.96 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.52 -4.89 76.28 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.187 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -96.08 145.72 25.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 143.65 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 120.914 0.388 . . . . 0.0 110.457 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.76 -167.0 10.85 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -126.24 139.09 53.6 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 116.934 0.367 . . . . 0.0 110.97 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -73.92 110.49 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.906 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -95.46 -17.25 21.65 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 120.935 0.398 . . . . 0.0 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.64 172.25 42.78 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.259 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -108.38 145.27 34.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.908 0.385 . . . . 0.0 110.403 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 44' ' ' ILE . 44.0 tttm -124.0 144.53 49.76 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.681 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -89.84 130.21 36.11 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 m -138.83 110.25 6.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.008 0.432 . . . . 0.0 111.137 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.77 136.1 52.26 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.122 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.33 -8.36 22.68 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -155.13 -47.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.746 0.308 . . . . 0.0 110.596 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.28 -94.4 0.21 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.87 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -109.59 134.5 51.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 111.158 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.54 144.25 18.1 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 56.4 t -101.88 116.16 45.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 CA-C-N 116.971 0.386 . . . . 0.0 110.605 -178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 34' ' ' LYS . 68.8 mt -79.91 107.34 12.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.263 0.554 . . . . 0.0 109.556 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' SER . 37.8 t -103.73 121.59 55.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.495 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -98.21 117.83 33.47 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 94.1 m-85 -89.35 176.36 6.96 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.804 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.0 -19.56 64.45 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.77 -3.54 32.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.253 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 75.05 2.24 3.93 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.379 1.072 . . . . 0.0 111.134 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 p -90.23 153.33 20.57 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.372 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 p -123.03 136.17 54.73 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-O 121.25 0.548 . . . . 0.0 110.868 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.3 m -143.78 135.3 26.07 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.518 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 65.5 p-90 -90.01 134.73 34.07 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -127.41 167.59 16.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.621 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -79.28 150.28 31.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 120.87 0.367 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -173.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.85 -2.44 27.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.345 0.593 . . . . 0.0 110.121 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -90.07 -21.26 22.41 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.554 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.12 163.24 14.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 13.4 pt-20 -117.98 153.2 34.03 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 t -94.39 118.4 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.961 0.41 . . . . 0.0 110.693 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.71 133.43 55.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.107 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.379 0 CA-C-O 118.734 -1.037 . . . . 0.0 111.537 179.318 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 27.7 ptt? . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -70.3 134.86 48.38 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 17.5 m -94.79 176.36 6.3 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 43.6 p-90 -65.81 155.21 36.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.095 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 50.9 m -154.9 141.31 18.7 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -114.36 146.7 36.38 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.28 106.09 0.38 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.531 2.154 . . . . 0.0 111.665 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -89.64 109.23 20.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.431 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -117.17 148.14 41.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -80.94 -89.98 0.07 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.53 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -126.22 19.02 7.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 11.5 pt -97.99 -11.95 8.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.389 -1.278 . . . . 0.0 113.032 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.0 123.0 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 93.09 -26.6 14.22 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.938 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -88.94 -53.01 4.8 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mmm -100.23 118.97 37.64 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.347 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -135.2 139.27 44.38 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.103 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.77 118.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA2' HE21 ' A' ' 29' ' ' GLN . . . 118.08 -24.99 8.54 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -175.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -73.58 149.68 41.95 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.913 0.387 . . . . 0.0 110.811 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 62.9 mttp -95.0 140.97 29.21 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.913 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 13.1 m -136.25 154.79 33.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.699 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 57.2 ttp180 -131.72 135.53 46.91 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.37 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.7 105.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.8 t -93.29 -19.95 20.88 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.378 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.2 ptp180 -155.32 170.65 21.39 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.965 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 16' ' ' VAL . 68.3 mt -131.31 114.86 27.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 50.8 mtt180 -90.11 4.58 49.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.043 0.449 . . . . 0.0 111.104 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' H ' HG22 ' A' ' 12' ' ' ILE . 6.3 t70 -130.95 -159.14 0.94 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HD3' ' H ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -87.12 148.33 25.27 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 12' ' ' ILE . 27.3 m -76.28 112.42 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 121.72 0.772 . . . . 0.0 111.231 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -86.74 162.8 17.67 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -61.84 -28.16 69.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.915 0.388 . . . . 0.0 110.582 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 -44.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.96 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.578 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 72.1 mt -60.43 -42.93 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.766 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -63.1 -29.78 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.38 -26.1 51.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.184 0.516 . . . . 0.0 110.392 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 25.6 mmtp -83.57 -20.29 34.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.131 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.89 108.38 2.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.76 -3.88 59.19 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.863 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -90.37 139.41 30.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -97.61 139.7 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 47' ' ' PHE . . . -149.08 -177.92 23.66 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.717 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 50.3 tt0 -117.51 140.64 49.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.641 0.258 . . . . 0.0 111.033 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.6 115.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -104.24 -4.54 22.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.183 0.516 . . . . 0.0 111.048 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.13 172.59 32.76 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.954 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -106.21 134.76 48.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.913 0.387 . . . . 0.0 110.277 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB2' HG12 ' A' ' 44' ' ' ILE . 31.8 tttm -110.65 133.95 52.86 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.167 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -81.43 121.61 26.47 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.8 m -123.88 117.04 23.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -59.08 118.68 6.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.207 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.58 -70.08 0.26 Allowed Glycine 0 N--CA 1.44 -1.064 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.127 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 p -77.88 -28.27 49.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.885 0.374 . . . . 0.0 111.372 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.56 -83.03 0.31 Allowed Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.211 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.87 132.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.192 0.52 . . . . 0.0 111.677 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.95 140.69 16.51 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 26.2 t -95.21 118.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-N 117.22 0.51 . . . . 0.0 110.894 -177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 ' HB3' ' A' ' 54' ' ' TRP . 32.5 mm -82.47 102.76 8.8 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.2 t -103.28 130.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.541 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 m -101.78 107.37 18.55 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.9 m-85 -83.52 178.22 8.1 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.319 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.52 -15.74 63.61 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.345 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -76.88 -5.4 48.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.388 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 68.17 19.29 9.18 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.705 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 p -109.58 163.11 13.76 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.402 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 78.2 p -122.8 139.61 53.81 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 m -146.4 149.56 33.97 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 56.8 p-90 -99.34 137.55 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.597 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -136.56 165.82 24.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 13' ' ' ARG . 59.2 m-85 -70.36 155.64 40.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.137 0.494 . . . . 0.0 111.191 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.3 -44.9 94.99 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -177.045 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.477 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 30.3 t70 -93.02 13.14 21.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.652 0.739 . . . . 0.0 110.522 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.0 tt0 -97.26 -21.94 16.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 20.7 m -112.58 147.02 16.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.591 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.7 pt-20 -102.62 139.55 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.637 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 t -79.83 125.46 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.92 164.08 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.847 0.356 . . . . 0.0 111.019 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.204 0 CA-C-O 118.512 -1.16 . . . . 0.0 111.849 179.099 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 121.058 0.456 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -162.98 173.78 13.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 22.8 t -87.62 130.93 34.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 58.5 119.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 112.813 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.8 m -119.66 -29.87 4.94 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.558 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 6.9 p80 -140.86 122.08 9.1 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.99 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 22.6 Cg_exo -65.47 -35.63 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.307 2.005 . . . . 0.0 111.355 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 64.63 86.68 0.12 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.543 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.54 ' HB3' ' HB ' ' A' ' -3' ' ' ILE . 73.8 m-85 -94.52 72.37 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.963 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -35.82 -85.52 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.733 1.213 . . . . 0.0 113.804 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -100.15 12.76 36.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.122 0.486 . . . . 0.0 110.066 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 21.5 mt -92.77 -53.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.561 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.66 99.57 2.6 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.213 0.53 . . . . 0.0 110.428 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 151.52 -59.31 0.42 Allowed Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 -178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.556 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 19.2 ptp180 -89.77 -37.47 14.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.931 0.396 . . . . 0.0 109.987 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.556 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 51.0 mmm -95.47 114.88 26.69 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.69 144.88 31.45 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.56 -177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.18 125.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.04 0.447 . . . . 0.0 110.122 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.09 -20.64 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.427 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -80.26 144.66 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 99.1 mttt -93.71 142.63 27.14 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 m -134.56 156.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.548 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -126.55 133.07 51.19 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.793 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' HA ' HG12 ' A' ' 60' ' ' VAL . 4.3 t -73.41 111.86 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -87.98 -43.92 11.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.862 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 18.2 ptp180 -152.67 170.65 19.73 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.433 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 HD21 ' A' ' 24' ' ' LEU . 48.1 mm -114.53 127.73 71.89 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -79.54 -37.87 35.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -94.3 -161.08 0.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -71.96 120.32 17.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.6 114.72 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.404 0.621 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.3 165.04 16.75 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.927 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -61.44 -20.43 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -86.12 -52.15 5.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.971 0.415 . . . . 0.0 111.031 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -72.97 -17.99 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.05 -25.26 33.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -75.71 -28.97 58.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.696 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -78.37 -20.21 51.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.906 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 9' ' ' VAL . 19.4 mt -58.85 121.56 11.43 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.78 -16.24 60.64 Favored Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -83.34 146.23 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.968 0.414 . . . . 0.0 111.216 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.32 131.19 49.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.886 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.81 179.13 18.12 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 51.0 tt0 -114.62 138.23 50.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 117.133 0.466 . . . . 0.0 110.965 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -68.47 110.78 2.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.872 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 p -107.95 -8.56 15.88 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.686 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.33 179.92 48.44 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.327 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -128.76 141.9 51.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -115.1 115.55 26.97 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.272 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -69.29 103.64 2.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.471 0.653 . . . . 0.0 111.243 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -117.65 157.81 25.77 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.002 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -99.59 -65.49 0.96 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.827 0.346 . . . . 0.0 111.197 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.06 150.95 49.6 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.204 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 72.1 -57.27 0.62 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.842 0.857 . . . . 0.0 112.153 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 171.39 -163.99 36.84 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.1 131.59 41.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.45 145.4 18.93 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.029 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 54.4 t -112.92 122.72 67.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -79.75 107.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.257 0.551 . . . . 0.0 109.962 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.61 130.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.375 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -104.02 122.46 45.29 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 86.3 m-85 -91.37 175.56 6.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.986 0.422 . . . . 0.0 111.589 -176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.79 -4.65 47.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.875 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 47' ' ' PHE . 7.5 p-10 -94.9 14.61 21.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 69.46 16.98 8.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.094 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 m -112.04 138.45 48.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 p -114.98 140.03 49.36 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.937 0.398 . . . . 0.0 110.345 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.2 m -149.3 146.88 27.77 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 49.4 p-90 -95.38 134.12 38.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -132.71 146.66 52.04 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.721 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 84.7 m-85 -65.69 158.96 26.05 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.564 0.697 . . . . 0.0 112.454 -177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -53.81 -46.69 71.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.989 -1.005 . . . . 0.0 113.239 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.79 11.66 23.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.833 0.825 . . . . 0.0 110.477 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 27.4 tt0 -99.61 -22.44 15.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.062 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 9' ' ' VAL . 23.8 m -126.88 145.76 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.074 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -103.13 155.43 18.41 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.25 119.73 36.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.8 108.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.244 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.412 -178.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.016 0.436 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -145.17 -166.02 2.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.169 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 7.3 m -61.54 -38.71 88.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.121 0.486 . . . . 0.0 110.868 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -136.73 -84.59 0.35 Allowed 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.121 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 50.1 m 60.48 170.84 0.09 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.158 0.583 . . . . 0.0 111.79 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -71.71 146.58 91.12 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.52 117.13 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.197 1.931 . . . . 0.0 110.899 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.91 132.33 34.11 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -106.22 125.65 51.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.0 -72.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.697 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 0' ' ' ARG . 57.2 mttp -133.2 57.76 1.79 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.41 HD13 ' HB ' ' A' ' 41' ' ' VAL . 25.9 mt -129.42 -51.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.082 -175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.85 -27.28 63.07 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.282 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -86.4 -1.7 85.76 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.45 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -132.25 -49.15 0.92 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 mmm -93.18 114.82 27.42 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.9 t70 -120.55 149.79 41.87 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.057 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.53 134.63 29.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.09 -19.56 54.3 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.247 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.3 mm-40 -82.54 159.22 22.86 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 51.7 mtmt -104.31 151.65 23.19 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.886 -179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.04 154.4 36.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.193 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -124.6 133.54 53.23 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.283 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 23.7 t -82.5 113.27 21.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -105.73 -20.03 13.58 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.749 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -151.69 155.93 39.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.461 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.556 HG12 HD21 ' A' ' 24' ' ' LEU . 42.1 mm -116.93 122.42 69.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 56' ' ' PHE . 53.0 mtp180 -68.62 -31.3 70.37 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -101.75 -165.99 1.25 Allowed 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 148.85 42.21 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.05 114.23 18.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.685 0.755 . . . . 0.0 111.678 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' H ' ' CG1' ' A' ' 20' ' ' ILE . . . -85.61 168.57 14.32 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.339 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.35 -33.78 68.12 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.243 0.34 . . . . 0.0 111.812 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.29 -51.81 6.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' CG1' ' H ' ' A' ' 17' ' ' ALA . 25.6 pt -67.71 -18.0 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.8 tt -72.32 -24.58 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.398 0.618 . . . . 0.0 109.662 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -77.07 -24.29 51.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.855 0.836 . . . . 0.0 109.002 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 47' ' ' PHE . 27.7 mmtp -80.44 -13.89 58.75 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.984 -178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 HG12 ' A' ' 12' ' ' ILE . 40.7 mt -65.52 109.98 2.54 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 5.0 71.98 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.918 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -96.45 136.86 36.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.76 130.55 48.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.553 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.03 174.8 20.98 Favored Glycine 0 C--O 1.219 -0.812 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 36.3 tt0 -110.71 138.61 46.88 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.111 0.456 . . . . 0.0 111.706 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.76 114.4 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.928 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 p -111.0 4.44 19.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.016 0.436 . . . . 0.0 111.318 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.01 169.25 22.13 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.773 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.26 143.03 45.51 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.705 0.288 . . . . 0.0 110.696 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' ILE . 49.9 tttp -111.24 133.57 53.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.046 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.26 142.79 39.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.898 0.38 . . . . 0.0 110.736 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -137.44 143.64 41.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.535 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.1 95.79 10.28 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 153.09 24.44 Favored Glycine 0 N--CA 1.438 -1.177 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m 68.85 178.74 0.25 Allowed 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.632 0.373 . . . . 0.0 110.876 -178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.03 156.83 53.38 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HD13 ' A' ' -3' ' ' ILE . 87.4 t -60.99 138.13 22.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 110.813 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.61 143.08 26.48 Favored Glycine 0 N--CA 1.435 -1.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.361 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 44.6 t -106.66 120.17 57.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB2' ' A' ' 34' ' ' LYS . 62.6 mt -80.85 106.27 11.8 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 52' ' ' SER . 16.5 t -102.82 119.91 51.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.4 -175.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 m -96.94 107.51 20.04 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 77.2 m-85 -81.47 163.56 22.65 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.65 -178.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.63 -15.15 63.26 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.163 0.506 . . . . 0.0 110.731 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -78.97 6.84 8.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.319 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.0 mtp-105 69.85 16.14 7.81 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.702 0.801 . . . . 0.0 110.9 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -106.0 130.55 53.91 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.589 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 32.1 p -114.51 125.43 53.79 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 120.969 0.414 . . . . 0.0 110.34 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -136.87 144.74 43.72 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.629 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 30.7 p-90 -96.97 135.04 39.53 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.432 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.73 159.73 37.57 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.466 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 95.3 m-85 -77.01 144.99 38.3 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.437 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.63 -25.89 19.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.015 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -92.07 -3.7 55.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.001 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -111.95 -1.33 15.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.663 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 m -126.98 158.05 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.082 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.55 149.36 50.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.32 135.14 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.665 0.269 . . . . 0.0 111.02 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.21 164.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.139 0.576 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.61 -1.105 . . . . 0.0 112.158 179.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 25.4 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -66.11 133.79 51.46 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.882 0.372 . . . . 0.0 110.647 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 13.2 m -94.69 126.48 40.02 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.999 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.77 -81.64 0.06 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 60.1 p 54.01 116.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.325 1.05 . . . . 0.0 112.723 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 0.3 OUTLIER -49.3 132.21 17.35 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.521 -178.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 34.7 Cg_exo -58.57 -23.62 65.87 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.15 2.567 . . . . 0.0 113.211 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 42.01 74.46 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.776 0.83 . . . . 0.0 113.198 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -81.21 96.73 7.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.73 -87.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.303 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.67 -13.79 36.21 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 mt -60.28 -50.2 81.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 1' ' ' MET . 40.5 tt0 -62.34 -28.19 69.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.66 99.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.861 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -94.33 -41.1 9.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.6 0.238 . . . . 0.0 111.564 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' -2' ' ' GLU . 17.6 ptp -126.99 119.65 27.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.548 . . . . 0.0 110.749 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 1.6 t70 -133.83 148.0 51.26 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 -176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.04 126.3 16.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.239 0.543 . . . . 0.0 110.664 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.27 -25.08 14.46 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 10.1 mm-40 -75.23 160.98 29.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.632 0.253 . . . . 0.0 110.455 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 44.3 mtmt -107.94 152.15 24.84 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 120.858 0.361 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 62' ' ' VAL . 17.2 m -136.68 151.04 27.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.299 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -116.19 129.81 56.49 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG12 HD23 ' A' ' 24' ' ' LEU . 4.9 t -80.93 100.63 5.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -104.07 -6.7 20.87 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.608 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 11' ' ' ARG . 2.0 ptm180 -156.27 169.23 25.03 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.089 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.02 141.38 39.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.572 178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -50.57 -68.0 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -153.16 -49.86 0.1 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.796 0.331 . . . . 0.0 111.453 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -104.03 135.38 45.64 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 39.5 t -101.36 112.62 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 C-N-CA 120.319 -0.552 . . . . 0.0 111.052 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -88.02 156.39 19.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.458 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -63.28 -23.03 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.163 0.506 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.87 -52.41 7.13 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.241 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 17' ' ' ALA . 23.9 pt -69.62 -29.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -176.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 15.1 tt -66.53 -26.58 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.264 0.554 . . . . 0.0 110.453 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -75.49 -19.11 59.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.071 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 6.8 mmpt? -91.44 -5.29 54.55 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.172 -176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 9' ' ' VAL . 37.6 mt -63.72 118.47 8.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.12 -17.26 57.32 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.644 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -85.36 154.29 21.98 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.99 0.424 . . . . 0.0 111.351 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.78 123.66 68.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.269 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.9 173.52 16.65 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -107.64 136.55 47.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.979 0.39 . . . . 0.0 111.124 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.8 mt -71.37 109.74 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.873 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 p -98.33 -9.4 25.45 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.287 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.59 174.27 39.74 Favored Glycine 0 N--CA 1.439 -1.112 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.054 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -109.01 159.78 16.56 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.737 0.303 . . . . 0.0 110.28 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB2' HG13 ' A' ' 44' ' ' ILE . 46.8 tttm -127.82 137.46 52.38 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.324 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -77.23 141.94 39.8 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -119.43 151.62 38.23 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.483 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -80.82 -13.26 59.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.06 -178.17 38.69 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 62.09 -157.99 0.33 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.716 0.304 . . . . 0.0 110.609 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 -168.88 29.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.253 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -79.34 155.73 4.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.06 15.62 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.947 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.31 129.7 73.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 34' ' ' LYS . 59.4 mt -94.67 114.48 31.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.31 122.68 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.99 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.9 m -95.5 120.44 35.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.069 0.462 . . . . 0.0 110.139 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.27 -178.95 4.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.692 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.26 -17.9 64.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -68.74 -9.24 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.451 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 75.39 6.45 4.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.402 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -104.45 149.99 24.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.152 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 p -108.48 125.6 51.96 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -117.82 133.07 56.31 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.726 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -93.04 141.05 28.83 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.339 0.59 . . . . 0.0 111.705 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -136.42 166.99 22.19 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.798 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -85.56 157.48 20.39 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.488 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -53.8 -29.55 41.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.516 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.66 -0.85 33.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.852 0.358 . . . . 0.0 111.326 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.5 -22.7 19.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.21 0.528 . . . . 0.0 111.106 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 9' ' ' VAL . 27.6 m -126.92 148.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.89 143.47 33.11 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 7' ' ' VAL . 39.8 t -79.01 134.12 28.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.448 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.3 p -146.45 109.12 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.969 0 CA-C-O 118.965 -0.908 . . . . 0.0 111.518 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.324 0.107 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 65.47 -73.95 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.719 0.808 . . . . 0.0 112.399 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 33.5 p -161.25 -45.03 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.39 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -90.42 115.92 27.96 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.085 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 25.0 m -143.56 -62.01 0.4 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . 0.424 ' HB2' ' HG2' ' A' ' -7' ' ' GLN . 29.8 p-80 -173.88 91.47 0.34 Allowed Pre-proline 0 C--O 1.219 -0.542 0 CA-C-O 121.497 0.665 . . . . 0.0 111.408 173.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.46 25.21 0.61 Allowed 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 122.754 2.303 . . . . 0.0 109.286 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . 0.424 ' HG2' ' HB2' ' A' ' -9' ' ' HIS . 29.6 pt20 -75.43 109.99 9.43 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.25 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.65 79.83 1.6 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.17 130.94 35.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 57.2 mtpt 71.4 -53.9 0.68 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.901 0.88 . . . . 0.0 111.708 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 34.9 pt -61.21 -23.16 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.93 -32.72 69.82 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.26 1.59 56.16 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 35.1 mmt-85 -106.07 -52.0 2.88 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.328 0.585 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptp -117.85 121.81 41.71 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.735 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -127.28 149.8 49.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.033 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.68 117.55 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.277 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.89 -17.26 10.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.212 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.51 162.43 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 30.5 mtpp -99.09 141.54 31.73 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.386 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 62' ' ' VAL . 13.4 m -134.15 154.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -125.0 131.54 53.4 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG22 HG12 ' A' ' 60' ' ' VAL . 5.0 t -80.52 123.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.0 m -119.54 -38.72 2.96 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.429 -0.508 . . . . 0.0 112.303 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 13.1 ptt-85 -136.16 135.05 38.87 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.536 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.92 135.62 25.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.702 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -73.01 -52.06 15.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.288 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.12 -85.88 0.28 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.13 146.29 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.77 111.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.887 0.375 . . . . 0.0 110.545 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.631 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.79 156.86 18.71 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.225 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' ILE . 80.8 mt-30 -71.29 -19.67 62.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.065 0.46 . . . . 0.0 110.599 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.56 -46.53 10.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.075 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.631 HG13 ' HB3' ' A' ' 17' ' ' ALA . 55.9 mt -62.49 -29.54 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.842 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.98 -28.17 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.167 0.508 . . . . 0.0 109.752 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -74.22 -1.29 19.87 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -104.91 -12.5 16.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.121 0.486 . . . . 0.0 109.941 177.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.41 129.16 37.41 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.188 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.87 -12.76 66.4 Favored Glycine 0 N--CA 1.439 -1.107 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.401 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.6 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 12.3 tt0 -88.97 146.09 25.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -102.26 128.14 55.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.38 -173.8 14.36 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.46 138.17 53.49 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 117.036 0.418 . . . . 0.0 110.953 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -75.3 117.78 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.589 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.52 -1.65 21.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.111 0.481 . . . . 0.0 111.05 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.63 172.33 30.98 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.132 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 157.03 17.81 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -125.08 131.92 53.24 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 120.551 -0.459 . . . . 0.0 111.139 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -69.33 127.12 31.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.5 p -133.9 131.59 39.29 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.478 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.42 126.82 36.02 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 135.27 8.84 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 63.08 -147.89 0.35 Allowed 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.96 -118.61 3.18 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.202 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.5 t -115.07 157.34 15.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 120.65 0.262 . . . . 0.0 110.525 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.71 160.25 13.39 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.814 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -123.58 136.23 60.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 C-N-CA 122.442 0.297 . . . . 0.0 110.201 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.46 109.12 20.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -106.15 125.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.419 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 m -91.74 110.98 22.33 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 87.0 m-85 -87.2 176.44 7.57 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -174.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.23 -18.14 63.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.218 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.57 -2.41 16.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.361 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 70.25 16.8 7.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.605 0.762 . . . . 0.0 110.644 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 m -114.7 142.84 45.95 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.768 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -99.97 125.63 46.01 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.9 m -132.45 143.22 49.64 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -92.47 134.58 34.82 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.104 0.478 . . . . 0.0 111.26 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -135.58 160.41 38.57 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.969 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 98.1 m-85 -77.86 159.86 28.66 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.432 0.634 . . . . 0.0 112.25 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.68 -41.41 73.66 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.379 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.9 -13.3 51.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.648 0.737 . . . . 0.0 110.677 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 15.3 tt0 -78.61 -22.66 46.66 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.647 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.508 HG12 HG22 ' A' ' 9' ' ' VAL . 35.1 m -126.15 149.8 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.306 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.73 151.6 27.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' HA ' HG12 ' A' ' 7' ' ' VAL . 16.3 t -91.77 130.45 40.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-O 120.942 0.401 . . . . 0.0 111.284 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 14.3 t -137.95 107.39 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.633 -1.093 . . . . 0.0 111.98 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.65 0.262 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -107.31 145.59 32.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.753 0.311 . . . . 0.0 110.491 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 8.6 m -77.18 115.14 16.71 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -67.87 -67.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 40.1 p 52.71 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.536 1.134 . . . . 0.0 113.175 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -151.71 152.88 31.11 Favored Pre-proline 0 C--N 1.313 -1.018 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -66.65 123.63 11.33 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.146 1.897 . . . . 0.0 109.5 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.27 77.41 4.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.628 0.728 . . . . 0.0 112.609 -176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -132.46 100.36 4.96 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' -5' ' ' GLU . 6.9 pt-20 -79.35 -66.14 0.91 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -173.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -100.73 -18.24 16.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.906 0.384 . . . . 0.0 111.659 -176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 1' ' ' MET . 15.3 pt -90.09 -7.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -176.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.58 125.24 23.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.993 0.425 . . . . 0.0 110.916 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.81 -40.22 2.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.826 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -65.82 -40.07 91.48 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.019 0.437 . . . . 0.0 110.209 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' -3' ' ' ILE . 18.3 ptp -132.57 129.41 38.98 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.219 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.42 169.24 18.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.362 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.24 136.76 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.43 -20.79 48.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.836 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -79.86 162.5 25.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.412 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -102.74 144.71 30.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.985 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.01 154.65 21.17 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.236 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -129.61 130.19 45.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.617 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.96 109.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.4 t -89.27 -43.55 10.89 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.79 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.656 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.9 ptt180 -155.37 126.86 7.32 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.615 HG12 HD23 ' A' ' 24' ' ' LEU . 39.1 mm -90.73 122.53 42.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.1 -9.56 17.72 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -177.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.16 -87.86 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -154.29 137.72 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 12' ' ' ILE . 15.8 m -93.81 115.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.291 0.567 . . . . 0.0 111.16 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' H ' ' HB ' ' A' ' 20' ' ' ILE . . . -84.42 170.36 13.63 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.5 -33.29 44.28 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.87 -36.57 17.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.531 ' HB ' ' H ' ' A' ' 17' ' ' ALA . 46.0 mt -64.24 -36.77 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.456 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.7 -31.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.387 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.29 -31.51 58.26 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.172 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -19.5 58.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.899 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 12' ' ' ILE . 2.7 tm? -67.11 118.0 9.92 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.93 1.82 84.57 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.896 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -96.71 148.85 22.45 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.32 141.76 18.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.481 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.21 -179.75 20.91 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.945 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -111.72 132.63 54.5 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.665 0.269 . . . . 0.0 110.727 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.17 117.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.8 p -104.28 -2.14 26.02 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.016 0.436 . . . . 0.0 111.245 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.49 171.04 24.8 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.267 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.947 0.403 . . . . 0.0 110.323 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB2' HG13 ' A' ' 44' ' ' ILE . 80.7 tttt -117.47 134.62 54.65 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.126 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -80.67 116.25 20.59 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -92.41 164.91 13.31 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -85.71 85.56 7.4 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.76 170.91 35.72 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.019 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m 65.25 -159.49 0.28 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 122.947 0.499 . . . . 0.0 111.195 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.26 -155.3 4.02 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.554 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.55 147.07 5.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 120.86 0.362 . . . . 0.0 110.565 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.1 146.2 18.14 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.745 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 37.1 t -115.09 124.12 71.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG13 ' HB2' ' A' ' 34' ' ' LYS . 61.9 mt -87.06 104.62 14.3 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.46 123.32 55.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -97.5 107.36 19.85 Favored 'General case' 0 N--CA 1.433 -1.296 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -84.17 -178.35 6.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.502 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.56 -7.6 39.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.654 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -84.3 5.99 24.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 66.89 4.62 3.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.487 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.7 m -104.64 136.21 44.59 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 p -101.7 125.39 48.36 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.34 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.3 m -128.65 135.82 49.81 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 64.9 p-90 -89.55 135.62 33.5 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.311 0.576 . . . . 0.0 111.528 -178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.85 167.98 19.22 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -84.78 153.43 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.808 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' -3' ' ' ILE . 5.1 pt-20 -50.85 -38.98 52.38 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.006 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -88.66 -5.85 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.655 0.74 . . . . 0.0 110.703 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 8.8 tt0 -90.69 -20.41 22.51 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.137 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.68 148.57 20.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.52 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.36 143.34 34.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.07 133.1 31.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.884 0.374 . . . . 0.0 110.271 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.74 123.9 72.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.855 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.167 0 CA-C-O 118.95 -0.917 . . . . 0.0 111.559 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.686 0.279 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -116.52 160.27 20.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.747 0.308 . . . . 0.0 110.783 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 19.4 p -81.23 -7.19 59.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -68.26 127.63 33.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 27.5 p -140.16 -1.51 1.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.673 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -165.37 154.99 11.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.615 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -53.42 140.05 64.15 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.881 2.387 . . . . 0.0 112.163 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -84.04 39.6 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.214 0.531 . . . . 0.0 110.872 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.431 ' HB3' ' H ' ' A' ' -2' ' ' GLU . 24.4 m-85 -99.66 39.96 1.27 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.963 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.17 -48.78 70.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.018 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.05 17.69 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.057 0.456 . . . . 0.0 111.054 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.535 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 42.6 mt -117.71 -68.74 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.431 ' H ' ' HB3' ' A' ' -6' ' ' PHE . 40.0 tt0 -68.46 112.37 5.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.45 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 126.95 -30.94 4.03 Favored Glycine 0 N--CA 1.438 -1.196 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.697 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -99.64 -68.37 0.81 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 175.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.697 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.2 OUTLIER -105.43 116.51 32.06 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.468 178.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -145.22 163.08 35.53 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.0 m -59.34 127.55 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.111 0.481 . . . . 0.0 110.619 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 -20.4 34.84 Favored Glycine 0 C--N 1.315 -0.62 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.34 -177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -84.29 151.67 24.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 94.5 mttt -95.35 149.52 21.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.15 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 3.5 m -141.8 156.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.005 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -129.94 127.19 39.59 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.852 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 60' ' ' VAL . 16.7 t -68.63 122.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HG2' ' A' ' 61' ' ' GLU . 57.0 m -114.29 -47.12 2.95 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.621 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 10.6 ptt180 -141.59 126.19 17.87 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.746 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HA ' ' OE2' ' A' ' 59' ' ' GLU . 47.2 mm -88.21 131.27 36.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -87.3 73.71 9.61 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.451 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 71.01 153.37 0.12 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.997 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 66.83 79.13 0.24 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.379 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -102.4 112.24 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.513 0.673 . . . . 0.0 111.633 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 168.22 12.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.912 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HG22 ' A' ' 21' ' ' ILE . 52.4 tt0 -64.83 -39.4 93.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.356 0.598 . . . . 0.0 109.861 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.55 -39.99 92.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.785 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.46 -51.33 53.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.023 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 18' ' ' GLN . 13.3 tt -63.31 -26.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 -176.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -64.79 -25.07 67.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.216 0.531 . . . . 0.0 110.396 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 9.1 mmpt? -95.21 -6.58 41.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.85 -177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.5 122.79 18.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.16 1.32 89.59 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.218 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -96.48 147.06 24.23 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.51 145.88 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.238 0.542 . . . . 0.0 111.88 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.11 -174.77 23.07 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.855 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -125.37 140.12 53.08 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.099 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.58 120.14 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.9 p -115.34 1.21 13.68 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.924 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.74 168.63 32.77 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.594 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -126.83 143.64 51.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.964 0.411 . . . . 0.0 110.608 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 44' ' ' ILE . 45.4 mtpt -122.78 152.65 40.45 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.334 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -86.24 122.57 30.43 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.3 m -118.38 108.83 15.55 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.07 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.18 -27.12 68.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.416 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.76 -19.57 67.46 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.123 -0.49 . . . . 0.0 113.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m -149.8 -76.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.267 -0.549 . . . . 0.0 110.953 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.77 -91.6 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.77 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.29 126.45 70.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.063 0.458 . . . . 0.0 111.008 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 129.57 9.87 Favored Glycine 0 N--CA 1.436 -1.328 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 27.5 t -94.84 112.06 26.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 34' ' ' LYS . 62.4 mt -79.06 109.82 14.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.41 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.31 114.7 44.62 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.654 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -92.36 115.49 28.14 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 92.8 m-85 -89.67 175.72 7.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.028 -177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -75.76 -1.14 23.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.516 0.674 . . . . 0.0 110.777 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -84.92 1.44 47.27 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.447 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 75.37 -10.56 1.22 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 111.039 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -86.19 141.26 29.46 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.181 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 p -112.06 128.37 56.18 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.437 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -129.06 137.81 51.5 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.5 p-90 -94.99 141.39 28.71 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.641 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -135.19 167.98 20.0 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.442 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 56.9 m-85 -75.92 165.54 24.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.081 0.467 . . . . 0.0 111.129 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.04 -46.68 88.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.582 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -81.48 -12.06 59.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 17.0 tt0 -76.39 -22.44 54.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.901 -175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 9' ' ' VAL . 35.4 m -126.72 161.3 33.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.459 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 10.0 pt-20 -123.04 150.76 42.66 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.31 128.82 39.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.222 0.534 . . . . 0.0 111.84 -176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 27.6 m -134.17 164.99 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.469 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.82 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.05 178.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -88.33 -38.48 15.12 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 109.41 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.2 m -134.26 168.06 19.57 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.805 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -80.57 -80.76 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.452 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 20.6 m 63.51 168.49 0.15 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.757 0.823 . . . . 0.0 112.412 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -150.97 160.76 31.57 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.237 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.0 113.17 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.134 1.889 . . . . 0.0 110.426 175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -90.94 96.37 10.59 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.255 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.442 ' HB3' ' HB2' ' A' ' -2' ' ' GLU . 89.5 m-85 -136.81 87.37 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.005 0.431 . . . . 0.0 111.978 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' -3' ' ' ILE . 10.9 pt-20 -120.16 136.2 54.7 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 73.61 -41.31 0.49 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.335 0.654 . . . . 0.0 109.804 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 17.7 pt -82.72 -165.13 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.219 176.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' -3' ' ' ILE . 40.5 tt0 72.64 128.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.04 0.536 . . . . 0.0 110.011 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.17 -50.69 4.45 Favored Glycine 0 C--N 1.312 -0.78 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -77.26 -52.45 9.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mmm -108.78 125.22 51.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.308 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -144.49 146.83 32.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.608 0.242 . . . . 0.0 110.928 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.99 123.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -20.2 24.01 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.495 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.64 159.14 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 43.0 mtmt -104.75 138.56 40.85 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.818 0.342 . . . . 0.0 110.132 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 62' ' ' VAL . 16.6 m -133.74 152.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.974 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 55.9 ttp180 -125.07 135.95 53.2 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.206 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 24' ' ' LEU . 3.0 t -78.1 105.68 7.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.0 t -102.87 -36.55 8.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.6 142.17 37.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.773 0.32 . . . . 0.0 111.257 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 HD21 ' A' ' 24' ' ' LEU . 44.0 mm -101.32 122.02 52.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 43.7 ttp180 -102.67 -28.64 12.01 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.178 -178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.23 -87.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 145.24 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 12' ' ' ILE . 39.1 t -87.17 113.97 25.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.78 168.68 13.27 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.077 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -62.66 -34.63 77.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.18 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 36.0 t70 -86.21 -32.42 21.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.103 0.478 . . . . 0.0 110.324 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' ' 17' ' ' ALA . 57.7 mt -62.81 -37.17 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.587 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 tt -63.0 -26.95 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.615 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.12 -23.68 38.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.431 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -76.73 -26.37 54.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.008 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 12' ' ' ILE . 62.8 mt -61.23 111.29 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.09 -19.53 27.35 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.975 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 69.3 mt-30 -85.74 143.76 28.16 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.376 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.59 129.51 72.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.21 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -133.98 179.61 17.33 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.895 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -102.78 141.01 36.31 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.34 114.08 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.029 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 p -92.24 -18.15 23.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.041 0.448 . . . . 0.0 111.203 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.33 175.98 40.78 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.538 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -106.29 142.87 35.26 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -116.44 125.99 52.77 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.882 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.1 ptm -75.71 114.41 14.27 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.224 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -103.43 108.83 20.23 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.265 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.15 114.73 3.29 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.997 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.72 19.23 79.98 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.481 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -137.32 10.96 3.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 117.029 0.414 . . . . 0.0 110.95 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.23 -135.73 13.41 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.49 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.91 134.95 59.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.007 0.432 . . . . 0.0 110.958 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.01 157.87 16.34 Favored Glycine 0 N--CA 1.435 -1.38 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.15 125.39 70.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -86.34 112.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 109.935 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -108.18 127.46 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.227 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -103.89 108.55 19.93 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' HA ' ' HA3' ' A' ' 28' ' ' GLY . 84.7 m-85 -80.74 166.48 20.97 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.637 -176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.49 -23.18 62.55 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.558 0.694 . . . . 0.0 110.76 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.34 0.48 14.25 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.9 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 70.76 7.7 6.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.498 0.719 . . . . 0.0 112.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 m -94.34 127.01 39.95 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.018 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 p -101.81 134.35 45.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.16 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.3 m -146.71 138.64 24.65 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -90.81 123.56 34.46 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.167 0.508 . . . . 0.0 110.433 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -117.1 167.01 11.55 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.498 178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -84.47 156.63 21.65 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.358 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -49.56 -36.17 22.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' OD2' ' HD3' ' A' ' 13' ' ' ARG . 22.7 t70 -101.52 17.22 23.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -175.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -103.7 -23.73 13.41 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.332 0.587 . . . . 0.0 111.494 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 m -125.98 159.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.309 -173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -113.26 155.54 24.92 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.709 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 7' ' ' VAL . 41.4 t -86.96 135.8 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 120.59 0.233 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.595 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 46.4 t -137.3 120.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.052 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.991 0 CA-C-O 118.616 -1.102 . . . . 0.0 111.673 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.477 0.179 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -54.96 111.33 0.81 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.223 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 69.6 m 62.81 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.644 0.778 . . . . 0.0 112.406 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -138.3 -22.04 1.04 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 34.3 t -50.35 124.73 11.07 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.485 0.49 . . . . 0.0 111.025 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -106.17 138.62 19.74 Favored Pre-proline 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.413 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.6 147.1 35.33 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.057 1.838 . . . . 0.0 110.927 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.01 125.96 30.44 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.471 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' -2' ' ' GLU . 42.4 m-85 -89.93 91.47 8.6 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.091 -175.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.57 -49.45 6.89 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.857 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -97.82 -0.55 44.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.138 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -105.01 -55.52 5.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.945 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' -6' ' ' PHE . 9.4 tp10 -63.14 116.68 5.61 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.845 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.13 31.78 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.731 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -111.66 -56.51 2.37 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm -133.44 114.91 14.18 Favored 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.747 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 24.0 m-20 -135.7 170.84 15.34 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.07 134.03 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.905 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.28 -33.18 6.78 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.191 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 18.5 mm-40 -68.38 151.23 47.16 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.674 0.273 . . . . 0.0 110.379 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -104.9 149.85 25.36 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.38 153.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -123.35 129.77 51.78 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.626 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 60' ' ' VAL . 8.0 t -79.95 101.0 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.6 m -92.46 -21.02 20.41 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.783 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 34.9 ptt180 -151.86 166.62 30.86 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.76 131.19 65.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -83.32 -46.87 12.11 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -99.63 -81.1 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.875 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -143.73 153.11 42.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -108.42 112.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.542 0.687 . . . . 0.0 111.005 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.523 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -88.4 169.84 11.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.031 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -58.42 -30.45 66.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.069 0.461 . . . . 0.0 111.518 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.86 -19.89 28.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.523 HG13 ' HB3' ' A' ' 17' ' ' ALA . 41.9 mt -85.57 -35.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.7 tt -58.36 -28.64 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-O 121.114 0.483 . . . . 0.0 111.392 -178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -75.52 -15.67 60.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.994 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -99.94 -13.65 19.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.885 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.7 113.86 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 0.0 109.827 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.94 -7.04 67.24 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.911 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.537 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 16.3 tt0 -91.24 153.6 19.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.702 0.287 . . . . 0.0 110.477 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -103.31 138.11 28.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.78 165.69 26.79 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -101.12 133.56 45.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.668 0.234 . . . . 0.0 111.003 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.98 115.08 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 p -111.64 -1.27 15.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.16 166.93 34.23 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.476 -0.869 . . . . 0.0 112.302 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.81 125.5 46.65 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.035 0.445 . . . . 0.0 110.253 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -95.7 151.07 19.69 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.883 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.2 ptm -99.77 117.25 33.7 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.919 0.39 . . . . 0.0 110.288 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -122.4 106.15 10.8 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.958 0.409 . . . . 0.0 110.191 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.36 130.21 39.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.11 0.481 . . . . 0.0 110.345 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.21 -19.42 43.13 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.588 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -125.96 -29.97 3.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.782 0.325 . . . . 0.0 111.555 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.75 -130.79 8.97 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.246 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.25 127.65 54.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-O 121.062 0.458 . . . . 0.0 110.953 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.6 146.86 18.41 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 10.8 t -104.55 112.42 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 CA-C-N 117.011 0.406 . . . . 0.0 110.779 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -81.24 102.16 6.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' SER . 21.8 t -104.57 128.26 58.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.875 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -96.87 105.72 17.9 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 82.6 m-85 -75.87 177.9 6.61 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.569 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.49 -20.53 64.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.25 0.17 20.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.516 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 67.56 20.92 9.62 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.448 0.699 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 m -112.94 140.15 47.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.524 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.1 p -99.59 135.19 41.37 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.114 0.483 . . . . 0.0 111.591 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -145.97 142.39 28.63 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 52.0 p-90 -96.14 136.75 36.19 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -133.14 168.16 19.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.388 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.23 159.07 20.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.245 0.545 . . . . 0.0 111.626 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 13.6 mt-10 -59.26 -48.81 80.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.83 -178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -84.44 11.58 8.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.747 0.784 . . . . 0.0 110.995 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 34.4 tt0 -107.37 -22.91 12.4 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.447 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 9' ' ' VAL . 33.2 m -127.22 145.17 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.631 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -108.17 151.79 25.44 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.19 137.04 22.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.663 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -143.91 164.43 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.772 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.071 0 CA-C-O 118.414 -1.215 . . . . 0.0 111.486 178.763 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 73.12 133.3 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.86 0.864 . . . . 0.0 110.598 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 20.8 t 64.7 -160.25 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -71.12 -31.38 67.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.619 0.247 . . . . 0.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 49.5 m 65.73 -67.16 0.14 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.69 0.796 . . . . 0.0 112.828 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -133.46 154.98 81.11 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.28 163.82 36.42 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.346 2.031 . . . . 0.0 110.5 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -104.06 138.05 41.14 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -123.17 142.58 50.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -96.15 -67.9 0.83 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.614 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 51.0 mtmt -97.76 -20.77 17.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.273 0.559 . . . . 0.0 110.446 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.601 ' CD1' ' HB ' ' A' ' 41' ' ' VAL . 12.7 mt -79.43 163.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.85 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 75.8 -41.88 0.45 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.466 0.706 . . . . 0.0 111.566 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.28 15.44 44.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.703 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.547 ' HG3' ' SD ' ' A' ' 1' ' ' MET . 6.2 ptp180 -165.37 -44.97 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.741 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' ' HG3' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -113.69 121.77 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 6.8 p-10 -144.19 168.17 20.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.127 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.18 124.0 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 111.112 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.37 -22.05 20.82 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 19.2 mm-40 -77.79 156.27 30.61 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.675 0.274 . . . . 0.0 110.544 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 52.4 mtpt -101.76 136.13 42.12 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 m -130.8 142.16 44.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.433 0.635 . . . . 0.0 111.273 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -112.86 140.85 47.31 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.752 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 t -74.16 100.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' A' ' 11' ' ' ARG . 25.0 p -79.28 -38.52 35.24 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.813 -175.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HG2' ' SG ' ' A' ' 10' ' ' CYS . 11.9 ptp180 -156.09 171.23 20.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.112 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG13 HD23 ' A' ' 24' ' ' LEU . 67.6 mt -118.67 130.73 73.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -79.05 -76.17 0.21 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.84 -46.35 6.92 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -172.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -142.41 133.38 25.79 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.104 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.63 113.36 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-O 121.492 0.663 . . . . 0.0 111.358 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.48 160.23 18.35 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.49 174.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.31 -14.78 62.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.901 0.381 . . . . 0.0 111.023 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.61 -48.2 13.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 pt -80.41 -18.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.024 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 tt -67.11 -19.83 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 121.41 0.624 . . . . 0.0 109.471 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -77.97 -4.87 49.14 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.217 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -7.55 13.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.249 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 HG13 ' A' ' 12' ' ' ILE . 2.7 tm? -68.57 125.6 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.52 -10.2 74.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.848 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -86.1 142.05 28.97 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.827 0.346 . . . . 0.0 110.21 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -95.41 138.01 22.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.51 -170.1 11.95 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 6' ' ' LYS . 57.8 tt0 -131.21 143.15 50.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 117.198 0.499 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -76.92 108.75 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.345 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -99.67 -11.15 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.701 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.01 174.27 43.3 Favored Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.48 155.82 29.06 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' HG13 ' A' ' 44' ' ' ILE . 48.1 tttp -126.52 133.17 51.21 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.6 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -83.21 124.6 30.7 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.158 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -112.48 174.73 5.75 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.734 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -108.23 -83.88 0.54 Allowed 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.229 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.62 64.7 4.15 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.246 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -177.22 -32.94 0.01 OUTLIER 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.916 0.389 . . . . 0.0 111.019 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 -121.92 3.82 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.601 ' HB ' ' CD1' ' A' ' -3' ' ' ILE . 47.7 t -118.17 144.88 25.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 116.975 0.388 . . . . 0.0 110.213 176.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.38 160.07 15.92 Favored Glycine 0 N--CA 1.437 -1.247 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.94 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -117.17 125.37 73.91 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' ' 34' ' ' LYS . 79.1 mt -86.89 106.22 15.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.4 t -101.11 126.01 54.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.625 -175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 m -106.82 119.83 40.38 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.68 159.43 16.38 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.78 -26.4 68.7 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.224 0.535 . . . . 0.0 110.779 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -73.87 6.82 2.97 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.899 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 73.87 16.37 3.73 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.136 0.974 . . . . 0.0 112.601 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -98.18 129.33 44.95 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -120.22 129.92 54.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 120.966 0.412 . . . . 0.0 110.592 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.5 t -154.92 171.04 20.34 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -115.1 146.29 41.48 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.193 0.52 . . . . 0.0 111.988 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.69 167.72 20.32 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.569 176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -80.3 155.27 27.35 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.419 -0.513 . . . . 0.0 111.647 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -52.29 -47.43 65.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.366 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.18 23.93 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.632 0.729 . . . . 0.0 110.517 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 32.5 tt0 -112.73 -20.46 11.64 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.152 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.6 m -112.95 163.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -122.22 144.79 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.071 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.9 t -83.01 130.1 36.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 m -138.35 163.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.24 0 CA-C-O 118.688 -1.062 . . . . 0.0 111.961 179.026 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 61.5 mtm . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -87.17 -84.24 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.859 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 11.2 p -101.34 123.19 45.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -82.2 166.82 19.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.053 0.454 . . . . 0.0 111.326 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 36.9 p -146.33 168.03 22.11 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.513 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -140.94 159.22 62.9 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.52 118.52 4.75 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.785 2.323 . . . . 0.0 111.567 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -90.03 131.81 35.71 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.198 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -99.54 126.2 45.45 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -86.42 -142.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.981 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 0' ' ' ARG . 24.6 pttm -48.28 -29.82 4.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.356 0.663 . . . . 0.0 112.068 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.09 -44.73 29.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.811 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.45 -32.49 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.064 0.459 . . . . 0.0 111.401 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.03 -4.29 89.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.033 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 14.1 mmt180 -122.0 -51.38 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 0.0 110.676 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp -132.36 118.39 19.33 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.15 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -137.59 171.46 14.43 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.88 116.95 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 111.146 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.21 -20.57 10.46 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.581 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.14 162.24 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.83 0.348 . . . . 0.0 110.39 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 47.6 mtmt -105.08 142.05 35.55 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.145 0.498 . . . . 0.0 110.772 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 m -134.12 157.35 41.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.664 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -129.15 137.63 51.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.682 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 21.7 t -68.57 107.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 t -89.31 -33.27 16.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.169 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -148.53 170.81 17.22 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.63 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 HG21 ' HA ' ' A' ' 16' ' ' VAL . 40.0 mt -123.18 120.81 61.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 59' ' ' GLU . 77.2 mtp85 -93.09 136.34 33.44 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 70.65 -73.8 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.485 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -135.39 134.07 39.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.691 0.281 . . . . 0.0 110.487 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 12' ' ' ILE . 86.4 t -86.83 113.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.733 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.738 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.71 159.75 19.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 176.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.61 -28.03 69.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.935 0.397 . . . . 0.0 111.169 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 -41.4 26.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.738 HG13 ' HB3' ' A' ' 17' ' ' ALA . 31.8 mt -63.8 -37.89 80.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.504 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -62.65 -25.22 37.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.098 0.475 . . . . 0.0 110.759 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -81.84 -39.34 24.09 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.389 0.614 . . . . 0.0 109.94 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -76.96 -15.71 59.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.237 -177.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 2.2 tm? -63.45 117.85 7.29 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.28 -2.37 81.03 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.042 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -96.51 141.44 29.8 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 t -102.05 139.01 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.653 0.263 . . . . 0.0 111.137 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.38 21.46 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -108.34 142.67 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.175 0.487 . . . . 0.0 110.95 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.05 121.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.429 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -112.04 -2.06 15.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.071 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.88 177.13 40.07 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.711 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -133.74 149.58 51.47 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.64 0.376 . . . . 0.0 110.349 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -140.59 124.4 17.21 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.712 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 ptm -65.57 104.53 1.03 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.139 0.495 . . . . 0.0 109.938 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -90.24 169.99 10.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.974 -177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.62 153.85 18.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.53 -77.25 1.76 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 m -84.7 -174.23 5.16 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.94 -117.38 0.05 OUTLIER Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 114.031 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.61 140.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-O 121.031 0.444 . . . . 0.0 111.102 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.33 132.65 11.12 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 25.5 t -95.56 126.1 48.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 C-N-CA 122.466 0.307 . . . . 0.0 110.518 -177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.57 111.41 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 t -112.36 125.4 69.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.4 m -99.79 114.82 28.24 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 78.6 m-85 -90.13 177.77 6.35 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -73.75 -8.13 54.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.043 -0.981 . . . . 0.0 112.04 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -95.97 10.05 38.68 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.755 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 70.87 10.87 7.07 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.891 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 t -99.55 135.48 40.89 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -123.98 136.57 54.39 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.158 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -155.68 171.26 20.28 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 68.2 p-90 -105.4 142.69 34.73 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.023 0.439 . . . . 0.0 111.326 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -134.37 155.41 50.32 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -71.32 150.53 45.05 Favored 'General case' 0 C--N 1.308 -1.231 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.3 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.61 -34.91 62.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 45.0 m-20 -90.81 8.59 34.05 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.973 0.416 . . . . 0.0 111.111 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 30.9 tt0 -108.87 -22.54 12.15 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.261 0.553 . . . . 0.0 110.576 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -114.7 156.4 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.552 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -118.04 158.72 24.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.98 129.21 41.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.73 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 81.0 t -131.51 111.95 20.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.993 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.551 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.367 -179.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.479 0.178 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . 60.17 -164.7 0.22 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 23.3 t -94.04 120.33 34.14 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -73.1 155.84 39.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.435 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 10.0 t -71.86 85.0 0.95 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.311 0.577 . . . . 0.0 111.105 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' -8' ' ' PRO . 13.9 p80 -90.39 147.95 37.85 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.759 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' -9' ' ' HIS . 2.9 Cg_exo -76.5 58.67 5.91 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.121 2.548 . . . . 0.0 111.685 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 66.93 -157.49 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.91 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 72.64 120.69 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.433 0.693 . . . . 0.0 110.376 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 -80.5 0.47 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.051 0.453 . . . . 0.0 110.137 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -96.88 -26.86 14.93 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.426 ' HB ' ' SD ' ' A' ' 1' ' ' MET . 25.2 pt -61.88 -19.08 20.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.196 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.91 -27.12 69.15 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.334 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.48 -4.06 55.05 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.944 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.653 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mmt180 -101.59 -68.81 0.8 Allowed 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.617 0.723 . . . . 0.0 109.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.653 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -92.19 117.05 29.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.649 178.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -143.39 160.66 40.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.802 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.94 115.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.909 0.385 . . . . 0.0 110.103 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.92 -22.3 16.54 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.67 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -71.45 149.69 45.64 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 53.6 mtpt -94.61 138.48 32.43 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.4 m -138.03 137.79 44.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 120.948 0.404 . . . . 0.0 110.854 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 31.6 ttp85 -108.34 139.83 42.5 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.013 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 76.4 t -70.23 109.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -87.53 -30.1 20.82 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.179 -176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 4.8 ptp180 -159.91 169.28 23.85 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.799 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG21 HG22 ' A' ' 16' ' ' VAL . 27.5 mm -131.94 117.14 32.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -81.77 77.54 8.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 15.5 t70 66.93 -169.77 0.2 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.749 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 6.3 ptp85 42.77 47.52 4.72 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.062 0.945 . . . . 0.0 112.888 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.528 HG22 HG21 ' A' ' 12' ' ' ILE . 18.7 t -83.09 113.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.198 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' HG13 ' A' ' 20' ' ' ILE . . . -86.98 166.21 15.25 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -65.28 -25.98 67.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.242 0.544 . . . . 0.0 110.437 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -21.71 26.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.922 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' ' 17' ' ' ALA . 42.0 mt -85.22 -36.67 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.571 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.901 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.01 -26.33 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.105 0.478 . . . . 0.0 110.928 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.33 -35.39 80.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.177 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 10.4 mptt -78.48 -9.01 59.15 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.667 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 12' ' ' ILE . 1.7 tm? -65.47 107.76 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 8' ' ' ARG . . . 97.86 -6.24 62.25 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.022 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -92.41 144.86 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 14.6 p -103.71 137.47 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.031 0.443 . . . . 0.0 111.074 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.93 -173.12 13.33 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -120.51 136.52 54.75 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.683 0.278 . . . . 0.0 110.601 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.69 121.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.426 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.7 p -109.67 -12.48 14.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.097 0.475 . . . . 0.0 111.174 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.74 44.99 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.338 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HZ ' ' O ' ' A' ' 1' ' ' MET . 65.6 m-85 -109.08 164.34 12.52 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.844 0.354 . . . . 0.0 110.706 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HB2' HG13 ' A' ' 44' ' ' ILE . 56.1 tttp -146.31 117.35 7.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.985 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -72.21 120.69 18.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.808 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -101.26 108.2 19.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -75.21 114.61 13.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.987 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.81 24.07 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.154 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -153.44 -47.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.22 -134.02 6.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.64 131.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.017 0.437 . . . . 0.0 110.633 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.47 151.61 18.27 Favored Glycine 0 N--CA 1.436 -1.315 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -122.14 127.07 75.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' A' ' 34' ' ' LYS . 77.8 mt -88.57 112.86 24.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 CA-C-O 121.256 0.551 . . . . 0.0 109.721 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.12 133.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.499 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -107.84 126.0 52.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.579 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 98.7 m-85 -101.76 -176.72 3.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.041 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.89 -11.44 60.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.338 0.589 . . . . 0.0 109.716 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.09 -6.69 18.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.558 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 74.12 -4.47 2.28 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.912 0.885 . . . . 0.0 110.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -104.16 155.49 18.67 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.1 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 p -124.14 140.61 52.8 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.613 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -142.84 162.55 35.18 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -101.68 139.95 36.63 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.061 0.457 . . . . 0.0 111.487 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -126.44 164.6 20.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.221 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.85 153.45 30.59 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 120.997 0.427 . . . . 0.0 110.514 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -50.66 -45.26 57.93 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -12.95 46.16 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.144 0.497 . . . . 0.0 110.889 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 28.1 tt0 -76.36 -23.15 54.16 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.355 -176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 12.9 m -116.44 147.65 19.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.61 138.09 48.62 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.174 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 7' ' ' VAL . 48.5 t -74.64 115.93 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.5 t -111.22 108.69 26.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 121.238 0.542 . . . . 0.0 110.374 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.396 0 CA-C-O 118.036 -1.425 . . . . 0.0 110.61 -179.735 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.759 0.314 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.27 31.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.508 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 21.5 t -93.73 174.9 6.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -71.76 143.33 49.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 17.9 t -137.24 155.63 49.26 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 120.757 0.313 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -61.21 157.34 44.26 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.865 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.07 113.8 1.25 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.447 2.098 . . . . 0.0 111.051 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -74.6 139.33 43.59 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.796 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -111.24 154.04 25.01 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.512 ' OE1' HG12 ' A' ' -3' ' ' ILE . 0.0 OUTLIER -111.1 -50.86 2.91 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.733 179.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.408 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 35.6 mtmm -135.38 -27.92 1.17 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.512 HG12 ' OE1' ' A' ' -5' ' ' GLU . 21.8 pt -58.11 -26.36 29.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.99 -21.52 66.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.752 0.31 . . . . 0.0 111.244 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -91.88 -3.72 67.95 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.926 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.729 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 26.4 mmm180 -113.02 -71.76 0.74 Allowed 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 0' ' ' ARG . 0.0 OUTLIER -88.35 129.97 35.26 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.711 -179.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -144.07 143.55 31.21 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.69 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.9 124.18 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.11 0.481 . . . . 0.0 110.634 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.89 -29.06 8.35 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.43 162.94 23.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' VAL . 48.8 mttm -105.5 152.87 22.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 120.843 0.354 . . . . 0.0 110.654 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 60' ' ' VAL . 5.3 m -136.89 156.19 34.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.464 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 56.8 ttt-85 -122.15 123.72 42.18 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.142 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 13.4 t -71.25 115.97 12.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.0 t -114.77 -47.05 2.91 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.983 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 35.7 ptt180 -135.93 132.63 36.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 120.652 0.263 . . . . 0.0 110.728 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG13 HD21 ' A' ' 24' ' ' LEU . 63.5 mt -86.76 124.52 40.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -69.34 -49.17 58.12 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -165.22 152.79 11.04 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.695 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 66.44 87.41 0.12 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.587 0.554 . . . . 0.0 110.988 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.4 t -90.33 112.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.723 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' HG12 ' A' ' 20' ' ' ILE . . . -87.85 150.35 23.58 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.763 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.7 -18.4 64.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 0.0 110.555 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.37 -49.69 8.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.971 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 17' ' ' ALA . 30.8 pt -69.72 -22.91 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 -20.83 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.336 0.589 . . . . 0.0 109.92 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.28 -9.52 56.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.111 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 6.2 mmpt? -95.61 1.24 53.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.469 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 12' ' ' ILE . 84.7 mt -70.0 117.46 11.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.995 177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 10.81 59.06 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 1.9 tp-100 -96.42 140.6 30.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.4 t -115.4 123.7 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.69 170.51 23.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.392 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -91.67 134.48 34.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.703 0.287 . . . . 0.0 111.123 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.429 HD11 HG13 ' A' ' 7' ' ' VAL . 63.9 mt -75.39 111.24 11.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.5 p -91.94 -8.94 44.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 120.756 0.312 . . . . 0.0 111.548 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.8 176.21 33.65 Favored Glycine 0 N--CA 1.437 -1.255 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.236 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -106.23 156.28 18.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.411 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 44' ' ' ILE . 57.1 tttp -129.34 150.69 50.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' A' ' 35' ' ' MET . 11.0 ptp -85.56 108.9 18.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.5 p -123.4 179.13 4.85 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 120.103 -0.639 . . . . 0.0 112.427 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -104.23 174.16 5.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.269 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.6 -58.16 4.72 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 57' ' ' GLU . 65.5 m -105.3 -52.75 2.78 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.132 0.491 . . . . 0.0 110.055 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.51 -51.8 0.85 Allowed Glycine 0 N--CA 1.44 -1.078 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.94 119.71 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.27 142.88 16.25 Favored Glycine 0 N--CA 1.433 -1.552 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.73 108.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 34' ' ' LYS . 71.7 mt -80.39 106.73 11.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.79 125.5 59.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.624 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -102.01 117.58 35.1 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -96.05 -176.51 3.71 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.729 -175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.12 -13.94 62.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -73.84 1.33 10.83 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 66.73 10.5 7.55 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.148 0.579 . . . . 0.0 111.145 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.9 m -114.47 153.1 30.56 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -109.34 148.12 31.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.046 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.9 m -144.26 135.98 25.96 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -92.85 140.18 29.76 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.67 166.45 21.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.241 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 61.1 m-85 -76.94 166.94 22.65 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.919 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 39' ' ' SER . 5.4 mt-10 -61.82 -48.39 80.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.439 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -86.07 9.43 17.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.268 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 10.0 tt0 -92.98 -22.2 19.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.913 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 27.2 m -124.76 151.52 30.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.713 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 8' ' ' ARG . 11.4 pt-20 -105.47 154.82 19.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.5 t -84.73 134.47 26.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.003 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.8 t -133.26 108.82 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.046 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.07 33.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.706 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 5.9 p -76.24 102.0 5.66 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.923 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -57.33 137.81 55.61 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.241 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 19.5 m -141.52 98.66 3.4 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -177.88 154.03 0.96 Allowed Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.97 125.68 17.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.666 1.577 . . . . 0.0 110.434 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -81.17 101.41 9.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.642 0.734 . . . . 0.0 110.584 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' -3' ' ' ILE . 15.0 m-85 -68.62 123.85 22.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.221 -177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' -4' ' ' LYS . 4.2 pt-20 -95.5 -78.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.467 ' H ' ' HG3' ' A' ' -5' ' ' GLU . 53.5 mtpt -82.43 -39.69 22.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' -6' ' ' PHE . 16.2 pt -56.9 -29.86 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.65 -28.79 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.037 0.446 . . . . 0.0 111.01 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.77 28.72 14.65 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.674 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.421 ' CG ' ' HA ' ' A' ' -3' ' ' ILE . 3.0 ptp180 -154.3 -45.48 0.09 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptp -132.11 152.79 51.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.78 0.324 . . . . 0.0 111.197 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -144.88 158.82 43.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.21 128.6 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.92 -12.28 49.44 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.135 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -81.13 150.0 28.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -92.73 125.4 37.33 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.038 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 19.7 m -129.39 153.67 39.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.745 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -133.95 142.18 47.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.67 110.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -95.48 -26.88 15.65 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.117 0.484 . . . . 0.0 110.68 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 8.9 ptp85 -150.45 162.05 41.32 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.783 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 24' ' ' LEU . 94.8 mt -132.07 143.3 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.436 0.46 . . . . 0.0 110.019 176.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 HH22 ' CB ' ' A' ' 58' ' ' ASP . 46.8 mmt-85 -65.91 177.49 1.31 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.06 80.69 1.72 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -177.48 34.02 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.45 112.17 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.95 -176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.75 156.46 18.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.09 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -65.73 -16.6 63.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 0.0 110.68 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -83.21 -52.03 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.852 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.37 -23.65 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.98 -23.96 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.385 0.612 . . . . 0.0 110.262 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -74.85 -9.22 58.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.794 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -96.66 -0.17 48.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.007 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 12' ' ' ILE . 49.1 mt -69.0 118.98 12.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.33 2.77 73.18 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.735 -177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -90.68 129.35 36.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -99.23 132.67 44.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.698 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.28 -178.45 19.11 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -113.81 137.8 51.14 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 117.166 0.483 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -70.06 105.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -92.67 -13.79 28.99 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.531 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.86 171.16 39.46 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.585 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -110.67 154.17 24.21 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.908 0.385 . . . . 0.0 110.367 178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' HG13 ' A' ' 44' ' ' ILE . 61.2 tttp -124.2 147.81 47.74 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -88.89 128.86 35.68 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.403 ' CB ' ' HG ' ' A' ' 39' ' ' SER . 38.7 p -120.63 108.58 14.2 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.035 0.445 . . . . 0.0 110.212 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.47 108.98 0.7 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.171 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 -27.02 22.22 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.705 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.403 ' HG ' ' CB ' ' A' ' 36' ' ' THR . 6.4 p -105.5 -2.83 23.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.985 0.392 . . . . 0.0 112.047 -178.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 -119.81 6.61 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.339 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.2 t -117.45 133.83 62.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.035 0.445 . . . . 0.0 110.578 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.74 157.2 18.15 Favored Glycine 0 N--CA 1.433 -1.555 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 21.3 t -109.01 119.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 116.735 0.268 . . . . 0.0 110.597 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' HB2' ' A' ' 34' ' ' LYS . 74.6 mt -86.27 104.17 13.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 t -104.61 127.23 59.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.229 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -96.03 108.9 21.36 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.86 -176.56 5.25 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.707 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.22 -18.73 63.85 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.241 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.19 -4.24 28.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.445 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 70.79 2.73 4.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.86 0.864 . . . . 0.0 110.648 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -101.06 140.91 34.7 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.217 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 p -99.47 125.5 45.22 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.25 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 m -127.93 141.56 51.51 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.531 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 62.8 p-90 -98.83 135.64 39.99 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.378 0.609 . . . . 0.0 112.04 -177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -131.66 168.44 17.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.627 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.5 m-85 -74.37 155.2 38.37 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.106 0.479 . . . . 0.0 111.44 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.23 -29.91 64.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.397 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CB ' HH22 ' A' ' 13' ' ' ARG . 5.0 m-20 -106.66 24.3 12.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.566 ' CD ' ' HA ' ' A' ' 12' ' ' ILE . 1.9 tp10 -106.87 -24.04 12.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.451 0.644 . . . . 0.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 m -118.71 149.66 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.477 -175.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.8 mm-40 -104.21 139.29 39.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.41 113.92 26.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.54 132.02 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.958 0.409 . . . . 0.0 111.108 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.003 0 CA-C-O 118.926 -0.93 . . . . 0.0 111.359 178.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 120.645 0.259 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -78.88 -71.33 0.44 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.997 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 40.8 m -73.2 -50.69 21.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.032 0.444 . . . . 0.0 110.709 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -93.04 135.25 34.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.992 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 23.6 t -118.94 -74.76 0.59 Allowed 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.289 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -176.58 158.68 1.59 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-O 120.325 0.107 . . . . 0.0 110.8 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -71.75 174.36 11.23 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.733 2.288 . . . . 0.0 110.489 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -91.82 29.74 1.51 Allowed 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 120.867 0.365 . . . . 0.0 111.328 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -120.63 121.8 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . 0.689 ' CD ' ' H ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -104.51 -77.05 0.58 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.689 ' H ' ' CD ' ' A' ' -5' ' ' GLU . 37.8 mtmm -92.6 -33.67 14.32 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.439 HG12 ' OE1' ' A' ' -5' ' ' GLU . 24.5 pt -61.4 -25.98 38.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.392 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.62 -32.05 70.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -101.29 2.81 54.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.785 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' -4' ' ' LYS . 16.0 mmt180 -109.81 -58.41 2.06 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.029 0.443 . . . . 0.0 109.959 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptp -104.88 114.91 29.4 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.372 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -121.71 145.3 48.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 114.65 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.93 -16.12 11.03 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.78 159.74 20.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -96.8 146.29 25.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.647 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 62' ' ' VAL . 4.0 m -139.67 140.26 36.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.261 0.553 . . . . 0.0 111.308 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 53.6 ttt-85 -109.72 132.68 53.92 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.638 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 24' ' ' LEU . 6.0 t -75.87 101.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -89.07 -31.98 17.78 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 33.4 ptt180 -157.31 170.75 21.76 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 -175.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG12 HD21 ' A' ' 24' ' ' LEU . 40.9 mm -119.42 133.53 65.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -81.54 62.42 5.4 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 66.11 165.11 0.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.479 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 59.1 72.72 0.51 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.495 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 57.9 t -81.76 115.01 23.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -85.12 149.76 25.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.05 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.7 -25.63 64.94 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.12 -42.15 15.05 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 HD11 ' H ' ' A' ' 17' ' ' ALA . 21.2 pt -74.52 -25.82 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 16' ' ' VAL . 13.8 tt -68.26 -23.49 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.58 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.73 -4.56 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -108.24 1.1 21.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.426 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 9' ' ' VAL . 16.4 mt -65.08 127.03 29.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.8 -14.1 59.33 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -89.3 141.42 28.55 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 120.861 0.363 . . . . 0.0 110.216 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 7.6 p -108.86 137.3 41.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.367 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.08 -161.1 9.94 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.28 139.52 52.38 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 117.009 0.405 . . . . 0.0 110.804 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.02 111.77 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.892 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 p -101.62 -5.95 24.42 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.022 0.439 . . . . 0.0 111.238 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.99 171.26 36.08 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -106.02 154.29 20.82 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HB2' HG13 ' A' ' 44' ' ' ILE . 52.5 tttp -135.12 118.7 16.98 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.747 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -70.65 124.46 24.31 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.933 0.396 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -117.31 175.4 5.63 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.14 -35.55 7.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.41 -77.2 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.823 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -84.68 -35.56 22.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.29 -59.18 0.61 Allowed Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.46 130.98 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-O 121.095 0.474 . . . . 0.0 110.484 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.6 16.92 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 t -118.0 122.91 70.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-O 120.529 0.204 . . . . 0.0 110.506 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 34' ' ' LYS . 47.6 mt -86.76 109.29 18.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.6 t -104.23 118.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.449 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.0 m -92.98 124.31 36.86 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.62 176.91 5.16 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.324 0.583 . . . . 0.0 111.745 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -66.36 -9.62 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.689 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 19.3 m-20 -77.26 -7.29 55.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.481 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 49' ' ' ASP . 3.9 mpt_? 74.53 7.38 4.51 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.73 0.644 . . . . 0.0 110.85 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -108.97 142.82 39.08 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 p -104.68 125.5 50.84 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 120.983 0.421 . . . . 0.0 110.356 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.0 m -123.01 131.34 53.66 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -92.93 138.32 31.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.071 0.462 . . . . 0.0 111.193 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -129.31 168.14 16.68 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.725 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.18 162.29 20.26 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.055 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.23 -36.23 70.66 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.43 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.34 0.63 40.85 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.593 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 3.2 tt0 -100.39 -23.85 14.65 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -170.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.1 m -124.68 164.39 23.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 120.008 -0.677 . . . . 0.0 112.402 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -122.41 141.15 51.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.801 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 7' ' ' VAL . 84.4 t -77.63 130.17 36.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.69 159.89 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.253 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.714 -1.048 . . . . 0.0 112.381 178.127 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 55.7 ttp . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.641 0.258 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -128.03 -58.9 1.2 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.782 0.325 . . . . 0.0 110.858 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 16.5 m -99.29 -0.73 40.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -57.01 109.7 0.69 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.547 0.689 . . . . 0.0 112.028 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 5.3 p -165.0 98.5 0.75 Allowed 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.381 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.43 138.82 96.52 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.48 113.81 1.54 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.666 2.244 . . . . 0.0 111.935 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.22 102.54 10.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.543 0.687 . . . . 0.0 111.199 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' -2' ' ' GLU . 41.5 m-85 -107.35 92.16 3.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.87 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -84.75 -67.97 0.76 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.038 0.447 . . . . 0.0 111.146 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -92.55 20.64 6.1 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.666 0.746 . . . . 0.0 109.957 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' -6' ' ' PHE . 42.4 mt -117.15 -58.26 3.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.276 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' -6' ' ' PHE . 40.9 tt0 -58.8 132.75 54.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.008 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.76 -26.79 6.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.512 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -95.31 -47.44 6.31 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp -129.38 121.61 27.75 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.598 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 22.2 t70 -144.63 162.05 37.63 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.464 -175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.32 136.8 21.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.548 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.98 -25.53 28.0 Favored Glycine 0 C--N 1.312 -0.804 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.308 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 35.9 mm-40 -77.03 157.38 31.19 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.335 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 4.6 m -135.27 139.53 46.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.851 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -112.86 134.99 54.12 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.464 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 24' ' ' LEU . 3.4 t -80.22 120.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.8 m -125.95 -26.49 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.662 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.9 ptp180 -145.92 127.27 14.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.261 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.564 ' HA ' ' OE1' ' A' ' 59' ' ' GLU . 53.1 mt -111.94 144.86 18.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.674 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' NH2' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -72.47 -166.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 35.6 t70 -65.95 151.9 45.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' ASP . 48.2 ttt180 80.4 83.59 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.528 0.731 . . . . 0.0 109.957 -174.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.35 114.62 45.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.58 153.65 22.26 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.176 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.39 -22.75 67.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.766 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.4 -52.12 11.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.993 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 pt -72.67 -29.17 29.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.27 -26.09 30.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.107 0.48 . . . . 0.0 110.529 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -75.94 -23.22 55.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.441 0.639 . . . . 0.0 109.743 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -79.55 -12.01 59.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.879 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 12' ' ' ILE . 95.5 mt -63.46 122.32 15.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.08 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.04 -11.39 64.02 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.893 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -96.02 141.08 29.84 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.965 -0.384 . . . . 0.0 109.965 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.89 135.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.397 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.46 -176.78 14.55 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.436 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -108.72 137.82 46.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.896 0.348 . . . . 0.0 110.955 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.06 122.04 22.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.082 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 p -116.38 0.28 12.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.697 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.23 177.41 41.02 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.548 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -131.76 156.48 45.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.726 0.298 . . . . 0.0 110.241 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -134.24 153.86 51.61 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.1 ptm -95.36 109.19 21.38 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -90.37 153.4 20.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.12 -16.06 32.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.92 -79.08 1.08 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -80.24 -77.71 0.19 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.056 0.455 . . . . 0.0 111.207 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.2 -77.15 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.2 t -111.71 138.84 38.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.259 0.552 . . . . 0.0 110.949 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.77 148.31 17.7 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.99 126.14 63.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 120.56 0.219 . . . . 0.0 110.518 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -87.56 109.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.15 117.6 51.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.116 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.8 m -98.3 110.5 23.07 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -85.3 -175.74 5.83 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.88 -9.74 41.09 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.283 0.563 . . . . 0.0 110.5 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 22.8 m-20 -78.26 -3.13 41.28 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.312 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 33.3 ttt180 72.74 -13.69 0.64 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.341 0.591 . . . . 0.0 110.939 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' ASP . 19.5 t -83.31 143.43 30.37 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.67 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.1 p -106.97 125.49 51.08 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.349 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 m -123.49 136.43 54.57 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -95.42 135.2 37.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.109 0.481 . . . . 0.0 111.331 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -129.37 168.15 16.7 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 91.4 m-85 -74.71 155.97 37.13 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.86 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -95.91 9.28 41.17 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.801 0.81 . . . . 0.0 110.571 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 11' ' ' ARG . 1.5 tt0 -95.5 -22.31 17.74 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.166 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.425 ' HB ' ' HB ' ' A' ' 7' ' ' VAL . 34.4 m -125.01 159.7 31.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.472 -177.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.9 pt-20 -117.03 139.9 50.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.49 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.0 t -83.23 130.68 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.6 137.95 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.107 0.479 . . . . 0.0 110.646 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 118.601 -1.111 . . . . 0.0 111.662 -179.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -14' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -13' ' ' ALA . . . . . . . . . . . . . . . -100.53 122.52 43.37 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.569 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -12' ' ' SER . . . . . . . . . . . . . 25.8 t -88.2 127.7 35.45 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' TRP . . . . . . . . . . . . . 18.3 p-90 -80.68 149.74 29.66 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.038 0.447 . . . . 0.0 110.74 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' SER . . . . . . . . . . . . . 3.5 p -142.09 -44.67 0.34 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.856 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -140.98 106.39 6.24 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.354 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.15 139.76 74.35 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.187 1.925 . . . . 0.0 109.699 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -84.71 97.56 9.73 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.235 0.541 . . . . 0.0 111.174 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.51 100.65 12.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.656 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -74.42 -77.83 0.11 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.008 0.433 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -101.15 -10.27 20.58 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.123 0.487 . . . . 0.0 109.998 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 20.3 mt -58.89 -50.56 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.538 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.48 -13.71 62.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.033 0.444 . . . . 0.0 111.616 -177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -82.47 -5.56 89.42 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -138.46 -41.01 0.51 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HE1' HG11 ' A' ' 7' ' ' VAL . 58.2 mmm -89.23 131.66 35.24 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.666 0.27 . . . . 0.0 110.274 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -143.49 137.06 28.25 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.333 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.91 114.46 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.38 -13.63 12.2 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -82.19 154.7 25.32 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 111.04 178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -92.87 142.34 27.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.424 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG11 ' HE1' ' A' ' 1' ' ' MET . 9.3 m -143.66 138.2 25.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 121.056 0.455 . . . . 0.0 111.44 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -116.54 131.06 57.05 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.745 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HA ' HG12 ' A' ' 60' ' ' VAL . 24.4 t -69.97 117.77 13.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.274 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 t -100.53 -32.3 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.2 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -136.34 165.83 24.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.595 HG12 HD23 ' A' ' 24' ' ' LEU . 27.7 mm -131.19 123.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 120.697 0.284 . . . . 0.0 110.463 178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -69.11 122.3 18.47 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 15' ' ' ARG . 4.9 t70 68.47 -158.81 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.347 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 4.1 tmt_? -60.57 134.3 56.94 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 122.987 0.515 . . . . 0.0 110.999 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -88.67 121.29 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.828 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -84.51 166.07 17.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 21' ' ' ILE . 76.8 mt-30 -62.81 -36.5 83.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.486 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.25 -39.99 68.03 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' H ' ' A' ' 17' ' ' ALA . 26.4 pt -83.64 -21.19 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 18' ' ' GLN . 10.3 tp -67.39 -23.41 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.534 0.683 . . . . 0.0 109.432 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.6 -25.6 60.41 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.194 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' CE1' ' A' ' 47' ' ' PHE . 10.1 mptt -88.7 -22.69 23.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.327 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HG12 ' A' ' 12' ' ' ILE . 2.3 tm? -66.36 109.38 2.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.66 -10.66 59.22 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.607 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.569 ' OE1' ' HB3' ' A' ' 47' ' ' PHE . 8.8 tt0 -95.77 138.63 33.15 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 p -99.76 139.11 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.849 0.357 . . . . 0.0 110.58 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.49 -166.75 11.12 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -126.77 137.3 53.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.932 0.366 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.28 118.86 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.368 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -107.91 -0.7 21.29 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.866 0.365 . . . . 0.0 111.709 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 178.38 35.38 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.413 -0.898 . . . . 0.0 112.473 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -112.6 155.55 24.2 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -130.72 153.11 49.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -93.02 121.37 34.28 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -108.76 119.3 39.13 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.031 0.443 . . . . 0.0 111.856 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.75 110.58 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.507 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.83 8.86 33.73 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.066 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.7 m -148.14 -43.1 0.16 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.76 -86.11 0.4 Allowed Glycine 0 N--CA 1.435 -1.417 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.319 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -117.75 133.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.192 0.52 . . . . 0.0 111.712 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.82 164.21 14.19 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' TRP . 42.2 t -113.51 128.49 70.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 117.11 0.455 . . . . 0.0 111.057 -178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mm -88.26 108.77 19.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 35.4 t -110.83 129.29 66.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.5 m -97.38 116.62 29.93 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' HB3' ' OE1' ' A' ' 26' ' ' GLN . 95.8 m-85 -92.17 179.41 5.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -174.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.79 -30.16 71.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.39 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.66 2.53 3.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.787 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 68.17 10.62 7.94 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.886 0.874 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 m -94.68 134.56 37.13 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 25.2 p -99.27 125.29 44.86 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 m -137.53 144.84 42.33 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.208 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 46.1 p-90 -89.25 132.74 34.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.19 0.519 . . . . 0.0 111.224 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -133.58 167.98 19.49 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.232 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -83.84 160.44 21.17 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.06 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -62.68 -47.94 81.49 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.78 0.9 56.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.29 0.567 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.43 -22.58 30.33 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.789 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 9' ' ' VAL . 34.9 m -116.2 167.25 9.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 12.9 pt-20 -117.61 146.23 43.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.552 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.9 t -83.79 125.24 40.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.946 -178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.7 147.62 33.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.301 0 CA-C-O 118.214 -1.326 . . . . 0.0 111.57 179.064 . . . . . . . . 0 0 . 1 stop_ save_