data_2rmf_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 2rmf _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 ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.6 0.238 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD11 HD22 ' A' ' 14' ' ' LEU . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.651 0.262 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.4 pp . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 18' ' ' LEU . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 19' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 15' ' ' LEU . 4.5 pp . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.329 0.109 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.514 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.559 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp . . . . . 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.286 0.565 . . . . 0.0 111.46 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.408 0.146 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.497 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 17' ' ' THR . 1.1 pp . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.0 pp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 37' ' ' ILE . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.495 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 18' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.45 0.167 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.436 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.549 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' N ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 33' ' ' GLN . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 11' ' ' THR . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.486 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.373 0.13 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 HG22 ' A' ' 36' ' ' ILE . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' THR . 2.6 pp . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG3' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.615 0.245 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.601 0.222 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.491 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.0 pp . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HA ' HD22 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 4.3 pp . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.225 0.059 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.37 0.128 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.58 122.49 87.73 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.82 -17.44 25.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.335 2.024 . . . . 0.0 112.424 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.56 28.25 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp -87.38 -39.99 14.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -44.31 85.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.551 0.691 . . . . 0.0 110.984 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -40.72 85.6 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.472 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.97 -46.8 61.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.39 4.7 17.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -151.75 55.48 0.85 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.877 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.391 0.139 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -127.13 78.66 74.08 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -82.78 15.82 1.97 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.825 2.35 . . . . 0.0 113.725 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -19.61 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD11 HD22 ' A' ' 14' ' ' LEU . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp -101.53 -36.45 8.79 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -24.27 64.83 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.84 -35.37 70.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.554 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.74 -39.85 53.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.32 12.97 7.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.181 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.74 53.13 1.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 111.045 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.631 -0.699 . . . . 0.0 111.61 179.812 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.346 0.117 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -166.19 131.2 1.8 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 120.656 0.265 . . . . 0.0 111.241 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' HG13 ' A' ' 8' ' ' ILE . 37.7 Cg_endo -64.9 -23.32 62.13 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.562 2.175 . . . . 0.0 113.351 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -63.45 -20.47 65.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.4 pp -86.37 -25.27 25.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -33.3 27.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 111.78 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 18' ' ' LEU . 3.9 pp -67.64 -42.35 82.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.831 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -49.88 -37.38 31.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -78.26 7.13 6.84 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.66 21.42 1.28 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.085 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.472 0.177 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -111.57 83.76 4.61 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.395 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HB2' HD22 ' A' ' 6' ' ' LEU . 60.9 Cg_endo -72.27 -14.42 28.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.435 2.09 . . . . 0.0 112.668 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 67.26 7.16 5.29 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 4' ' ' PRO . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 19' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 15' ' ' LEU . 4.5 pp -81.86 -33.51 30.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.19 -24.16 64.01 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 112.057 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.38 -40.39 51.16 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -43.02 99.89 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.46 -1.13 19.84 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.5 p -130.42 44.03 3.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.457 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.155 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 120.603 0.239 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -79.45 157.88 74.5 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.66 12.32 2.64 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.524 2.149 . . . . 0.0 114.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -124.88 12.64 8.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.514 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.95 -29.77 13.98 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.17 -28.73 38.73 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -53.17 -30.53 37.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.558 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.559 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -47.04 -34.16 5.5 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -6.29 9.13 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -132.1 38.2 3.52 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.226 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.12 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.591 0.234 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.2 82.67 11.77 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.004 0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.3 2.88 8.25 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.697 2.265 . . . . 0.0 114.16 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -58.49 -32.59 68.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp -85.7 -36.34 20.29 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.93 -44.56 97.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.567 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.48 -41.77 88.45 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.712 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -51.9 -44.54 63.83 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.48 13.19 18.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.006 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.1 63.73 0.15 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.136 0.493 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.451 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.514 0.197 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -109.83 140.57 22.38 Favored Pre-proline 0 N--CA 1.464 0.244 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.04 57.96 1.18 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.614 2.209 . . . . 0.0 112.42 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER 61.07 48.17 6.67 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.46 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp -88.81 -36.27 16.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.49 -45.61 84.7 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp -64.63 -40.57 95.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.77 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -57.75 -28.65 64.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' SER . 12.4 m-20 -72.47 0.34 10.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.95 16.57 1.78 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.938 0.495 . . . . 0.0 112.057 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.8 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.392 0.139 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.405 ' O ' HD23 ' A' ' 6' ' ' LEU . 18.5 t30 -122.88 135.46 25.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.71 -18.47 12.25 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.908 2.405 . . . . 0.0 113.93 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -96.65 10.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 3' ' ' ASN . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp -94.24 -17.31 22.81 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.94 -37.24 34.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.45 -41.9 99.07 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.645 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -31.44 15.09 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -81.48 8.55 9.21 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.7 t 72.04 57.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.666 0.386 . . . . 0.0 111.88 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.366 179.334 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.282 0.087 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.431 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -166.26 -63.45 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 3' ' ' ASN . 72.0 Cg_endo -74.86 60.06 5.23 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.373 2.049 . . . . 0.0 113.459 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -110.98 8.7 22.09 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.497 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -80.93 -33.38 34.13 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.63 -2.11 58.42 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 17' ' ' THR . 1.1 pp -59.91 -42.42 93.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -54.0 -35.62 62.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.4 OUTLIER -72.27 0.2 10.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.5 t 69.84 54.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.579 -0.724 . . . . 0.0 111.263 179.154 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.505 0.193 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -150.33 122.57 4.14 Favored Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.309 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.72 40.59 1.01 Allowed 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.731 2.288 . . . . 0.0 112.585 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p 49.36 31.35 3.78 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -88.95 -30.19 18.99 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.87 2.16 55.33 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.0 pp -64.79 -44.7 89.09 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 37' ' ' ILE . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.79 -31.53 17.19 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 11.83 2.4 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.77 62.04 0.36 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.937 -0.477 . . . . 0.0 111.293 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.355 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.074 -0.013 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 61.46 103.03 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 123.4 0.438 . . . . 0.0 111.781 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.59 4.53 4.44 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.543 2.162 . . . . 0.0 113.744 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 t -122.21 13.71 10.43 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.495 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -106.87 -32.49 7.9 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.39 -11.31 59.94 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 18' ' ' LEU . 4.3 pp -62.84 -40.74 98.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.62 -41.79 61.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.66 3.34 33.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 41' ' ' VAL . 7.2 p -130.43 16.32 5.46 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' SER . 35.3 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.086 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.54 70.87 82.08 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-O 121.017 0.437 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.29 54.74 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.616 2.211 . . . . 0.0 112.962 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -105.89 7.86 32.37 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.436 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -101.42 -37.15 8.57 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -15.27 63.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -69.72 -37.62 76.6 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.549 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' N ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 33' ' ' GLN . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.59 -41.64 31.36 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 3.55 15.35 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.43 63.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.999 0.428 . . . . 0.0 111.044 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.467 -179.672 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 120.676 0.274 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -115.15 152.44 46.72 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.69 49.4 1.5 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.464 2.109 . . . . 0.0 112.709 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -162.13 26.25 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.114 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.453 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.638 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp -108.17 -35.1 6.66 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -82.15 2.5 31.22 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.02 -27.61 68.93 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.29 -42.44 52.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.2 0.61 18.46 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.76 15.51 3.36 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.967 -0.54 . . . . 0.0 112.379 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.427 0.156 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -173.98 129.15 0.48 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.184 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.12 -9.37 25.43 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.549 2.166 . . . . 0.0 113.314 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.73 17.51 9.81 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 11' ' ' THR . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp -98.68 -34.06 10.69 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.68 -16.94 60.11 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -59.3 -42.98 92.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.566 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.515 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -51.11 -30.54 16.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -76.79 4.56 9.43 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 42.5 t 74.3 62.51 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.981 0.419 . . . . 0.0 111.497 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.461 179.513 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.078 -0.011 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 58.33 95.56 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 111.623 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.71 0.38 5.69 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.565 2.176 . . . . 0.0 113.824 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -119.6 10.59 11.8 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 12' ' ' PHE . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.486 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp -89.31 -33.86 16.78 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.84 -10.15 59.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.03 -43.69 52.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.853 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -55.03 -30.96 60.67 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.77 13.98 2.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -102.15 24.73 9.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.406 -0.806 . . . . 0.0 111.426 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.412 0.148 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -119.32 89.52 40.24 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -88.18 -4.09 6.87 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.713 2.275 . . . . 0.0 113.308 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 58.32 15.47 3.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 11' ' ' THR . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp -88.26 -38.55 15.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -43.33 95.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.039 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -38.52 91.0 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.008 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 HG22 ' A' ' 36' ' ' ILE . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.75 -36.48 47.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.95 3.06 15.58 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 63.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.007 0.432 . . . . 0.0 111.352 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.338 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.494 0.188 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.29 -63.07 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 3' ' ' ASN . 77.2 Cg_endo -84.63 -9.81 8.86 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.276 1.984 . . . . 0.0 114.216 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -123.69 7.69 8.83 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp -88.1 -31.77 19.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.9 -1.84 58.29 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 17' ' ' THR . 2.6 pp -60.25 -41.32 92.95 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG3' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -31.92 18.42 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.71 6.98 7.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.2 t 73.13 59.26 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.972 0.415 . . . . 0.0 111.757 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.292 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.404 0.145 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.14 90.36 6.67 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.3 5.64 4.0 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.794 2.329 . . . . 0.0 114.278 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -55.97 -22.75 28.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp -95.08 -31.43 13.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -38.19 89.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.266 0.555 . . . . 0.0 111.825 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.59 -33.01 63.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.358 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -40.93 60.23 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.63 12.51 3.78 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.77 53.48 1.23 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.955 0.407 . . . . 0.0 111.198 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.731 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.626 0.251 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 4.0 p-10 -107.75 80.21 0.95 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.22 -52.7 8.52 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.627 2.218 . . . . 0.0 112.108 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -142.98 16.51 1.93 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.601 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.491 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.0 pp -93.37 -38.42 11.48 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.87 -42.85 90.42 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.535 0.683 . . . . 0.0 111.257 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -41.76 95.06 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.026 178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.42 -37.74 12.1 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -6.7 8.95 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.1 p -119.85 17.97 12.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.822 -179.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.445 0.164 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -111.94 81.7 3.73 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.7 65.59 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.761 2.307 . . . . 0.0 113.128 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -94.02 6.21 49.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 11' ' ' THR . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HA ' HD22 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp -108.95 -33.04 7.04 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -69.39 -11.93 61.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.135 0.493 . . . . 0.0 112.224 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 4.3 pp -70.35 -37.85 74.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.908 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -32.22 16.17 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 5.79 7.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 t 74.95 62.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.242 0.544 . . . . 0.0 111.31 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' HD21 ' A' ' 10' ' ' LEU . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 7' ' ' SER . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.6 0.238 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 33' ' ' GLN . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.682 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 5' ' ' SER . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 11' ' ' THR . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 10' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.651 0.262 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' THR . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.4 pp . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 11' ' ' THR . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.517 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.912 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.2 pp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.329 0.109 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 8' ' ' ILE . 33.1 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.972 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 15' ' ' LEU . 1.4 pp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.4 pp . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' NH1' ' HB3' ' A' ' 22' ' ' ALA . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 15' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp . . . . . 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.428 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 32' ' ' GLU . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.286 0.565 . . . . 0.0 111.46 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 7' ' ' SER . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.527 ' N ' HD12 ' A' ' 6' ' ' LEU . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.7 pp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.408 0.146 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' OE1' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 8' ' ' ILE . 27.9 t . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.495 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.652 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.689 ' CD2' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.845 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 HD23 ' A' ' 15' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 24' ' ' THR . 3.0 pp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 8' ' ' ILE . 15.0 t . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 5' ' ' SER . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' LEU . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.45 0.167 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 8' ' ' ILE . 10.8 t . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 5' ' ' SER . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 24' ' ' THR . 4.0 pp . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.558 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' GLN . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 33' ' ' GLN . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 8' ' ' ILE . 97.4 p . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 11' ' ' THR . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.006 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.006 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 11' ' ' THR . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.574 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 32' ' ' GLU . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 14.2 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.7 pp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.373 0.13 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 11' ' ' THR . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' GLU . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 t . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 7' ' ' SER . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.607 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 5' ' ' SER . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.543 HG22 HD23 ' A' ' 15' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.96 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.96 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 22' ' ' ALA . 2.6 pp . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 33' ' ' GLN . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 5' ' ' SER . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.903 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.903 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.615 0.245 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 33' ' ' GLN . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 22.5 t . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.601 0.222 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 11' ' ' THR . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.0 pp . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 10' ' ' LEU . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' THR . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.504 HG22 HD23 ' A' ' 15' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.4 pp . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.225 0.059 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.37 0.128 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.58 122.49 87.73 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.82 -17.44 25.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.335 2.024 . . . . 0.0 112.424 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.56 28.25 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' HD21 ' A' ' 10' ' ' LEU . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 7' ' ' SER . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp -87.38 -39.99 14.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.68 -44.31 85.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.551 0.691 . . . . 0.0 110.984 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -40.72 85.6 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.472 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 33' ' ' GLN . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.97 -46.8 61.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.39 4.7 17.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -151.75 55.48 0.85 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.877 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.391 0.139 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -127.13 78.66 74.08 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -82.78 15.82 1.97 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.825 2.35 . . . . 0.0 113.725 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.682 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.04 -19.61 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 5' ' ' SER . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 11' ' ' THR . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 10' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp -101.53 -36.45 8.79 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.31 -24.27 64.83 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.5 pp -57.84 -35.37 70.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.554 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.74 -39.85 53.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.32 12.97 7.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.181 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.74 53.13 1.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 111.045 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 37' ' ' ILE . 18.8 m . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.631 -0.699 . . . . 0.0 111.61 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.346 0.117 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -166.19 131.2 1.8 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 120.656 0.265 . . . . 0.0 111.241 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' HG13 ' A' ' 8' ' ' ILE . 37.7 Cg_endo -64.9 -23.32 62.13 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.562 2.175 . . . . 0.0 113.351 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -63.45 -20.47 65.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' THR . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -86.37 -25.27 25.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.88 -33.3 27.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 111.78 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp -67.64 -42.35 82.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.831 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -49.88 -37.38 31.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -78.26 7.13 6.84 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.66 21.42 1.28 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.085 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.472 0.177 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -111.57 83.76 4.61 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.395 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.758 ' HB2' HD23 ' A' ' 6' ' ' LEU . 60.9 Cg_endo -72.27 -14.42 28.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.435 2.09 . . . . 0.0 112.668 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 67.26 7.16 5.29 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 4' ' ' PRO . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 11' ' ' THR . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.517 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.912 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.5 pp -81.86 -33.51 30.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.2 tp10 -69.19 -24.16 64.01 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 112.057 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.2 pp -76.38 -40.39 51.16 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -43.02 99.89 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.46 -1.13 19.84 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.5 p -130.42 44.03 3.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.457 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.155 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 120.603 0.239 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.559 ' O ' HD23 ' A' ' 6' ' ' LEU . 11.1 p30 -79.45 157.88 74.5 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.66 12.32 2.64 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.524 2.149 . . . . 0.0 114.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 8' ' ' ILE . 33.1 t -124.88 12.64 8.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 3' ' ' ASN . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.972 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 15' ' ' LEU . 1.4 pp -95.95 -29.77 13.98 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.17 -28.73 38.73 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.4 pp -53.17 -30.53 37.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.558 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' NH1' ' HB3' ' A' ' 22' ' ' ALA . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -47.04 -34.16 5.5 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -6.29 9.13 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -132.1 38.2 3.52 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.226 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.12 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.591 0.234 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.2 82.67 11.77 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.004 0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.3 2.88 8.25 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.697 2.265 . . . . 0.0 114.16 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -58.49 -32.59 68.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 15' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp -85.7 -36.34 20.29 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.93 -44.56 97.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.567 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.48 -41.77 88.45 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.712 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.428 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 32' ' ' GLU . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -44.54 63.83 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.48 13.19 18.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.006 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.1 63.73 0.15 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.136 0.493 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.451 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.514 0.197 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' HD2' ' A' ' 4' ' ' PRO . 1.1 t-20 -109.83 140.57 22.38 Favored Pre-proline 0 N--CA 1.464 0.244 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 3' ' ' ASN . 58.0 Cg_endo -69.04 57.96 1.18 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.614 2.209 . . . . 0.0 112.42 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER 61.07 48.17 6.67 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.46 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp -88.81 -36.27 16.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.49 -45.61 84.7 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp -64.63 -40.57 95.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.77 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -57.75 -28.65 64.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 40' ' ' SER . 12.4 m-20 -72.47 0.34 10.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.95 16.57 1.78 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.938 0.495 . . . . 0.0 112.057 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.8 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.392 0.139 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' HD23 ' A' ' 6' ' ' LEU . 18.5 t30 -122.88 135.46 25.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.71 -18.47 12.25 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.908 2.405 . . . . 0.0 113.93 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -96.65 10.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 7' ' ' SER . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.527 ' N ' HD12 ' A' ' 6' ' ' LEU . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp -94.24 -17.31 22.81 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.2 tt0 -79.94 -37.24 34.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.7 pp -62.45 -41.9 99.07 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.645 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' OE1' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -31.44 15.09 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -81.48 8.55 9.21 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.7 t 72.04 57.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.666 0.386 . . . . 0.0 111.88 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.366 179.334 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.282 0.087 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -166.26 -63.45 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 3' ' ' ASN . 72.0 Cg_endo -74.86 60.06 5.23 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.373 2.049 . . . . 0.0 113.459 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 8' ' ' ILE . 27.9 t -110.98 8.7 22.09 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.495 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.652 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.689 ' CD2' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.845 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -80.93 -33.38 34.13 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.63 -2.11 58.42 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -59.91 -42.42 93.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -54.0 -35.62 62.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.4 OUTLIER -72.27 0.2 10.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.5 t 69.84 54.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 36' ' ' ILE . 7.9 p . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.579 -0.724 . . . . 0.0 111.263 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.505 0.193 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -150.33 122.57 4.14 Favored Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.309 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 6' ' ' LEU . 87.4 Cg_endo -80.72 40.59 1.01 Allowed 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.731 2.288 . . . . 0.0 112.585 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p 49.36 31.35 3.78 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 HD23 ' A' ' 15' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -88.95 -30.19 18.99 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.87 2.16 55.33 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 24' ' ' THR . 3.0 pp -64.79 -44.7 89.09 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.79 -31.53 17.19 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 11.83 2.4 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.77 62.04 0.36 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.937 -0.477 . . . . 0.0 111.293 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.355 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.074 -0.013 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 6' ' ' LEU . 48.0 t-20 61.46 103.03 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 123.4 0.438 . . . . 0.0 111.781 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.59 4.53 4.44 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.543 2.162 . . . . 0.0 113.744 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 8' ' ' ILE . 15.0 t -122.21 13.71 10.43 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 3' ' ' ASN . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 5' ' ' SER . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' LEU . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -106.87 -32.49 7.9 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' OE2' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -78.39 -11.31 59.94 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp -62.84 -40.74 98.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.62 -41.79 61.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.66 3.34 33.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 41' ' ' VAL . 7.2 p -130.43 16.32 5.46 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 40' ' ' SER . 35.3 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.086 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.54 70.87 82.08 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-O 121.017 0.437 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.29 54.74 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.616 2.211 . . . . 0.0 112.962 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 8' ' ' ILE . 10.8 t -105.89 7.86 32.37 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 5' ' ' SER . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -101.42 -37.15 8.57 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -15.27 63.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -69.72 -37.62 76.6 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.558 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' GLN . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.703 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.59 -41.64 31.36 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 3.55 15.35 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.43 63.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.999 0.428 . . . . 0.0 111.044 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.703 ' HB ' HG22 ' A' ' 37' ' ' ILE . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.467 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' HB3' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 120.676 0.274 . . . . 0.0 111.477 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' OD1' ' HD2' ' A' ' 4' ' ' PRO . 2.3 m-80 -115.15 152.44 46.72 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HD2' ' OD1' ' A' ' 3' ' ' ASN . 72.5 Cg_endo -72.69 49.4 1.5 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.464 2.109 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 8' ' ' ILE . 97.4 p -162.13 26.25 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.114 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 2' ' ' ASP . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 11' ' ' THR . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.006 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.006 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp -108.17 -35.1 6.66 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -82.15 2.5 31.22 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.02 -27.61 68.93 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.29 -42.44 52.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.2 0.61 18.46 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.76 15.51 3.36 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.967 -0.54 . . . . 0.0 112.379 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.427 0.156 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -173.98 129.15 0.48 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.184 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HG2' HD23 ' A' ' 6' ' ' LEU . 60.0 Cg_endo -71.12 -9.37 25.43 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.549 2.166 . . . . 0.0 113.314 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.73 17.51 9.81 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 4' ' ' PRO . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 11' ' ' THR . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp -98.68 -34.06 10.69 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.68 -16.94 60.11 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp -59.3 -42.98 92.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.566 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 32' ' ' GLU . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.736 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -51.11 -30.54 16.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -76.79 4.56 9.43 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 42.5 t 74.3 62.51 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.981 0.419 . . . . 0.0 111.497 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 37' ' ' ILE . 9.0 p . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.461 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.078 -0.011 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 6' ' ' LEU . 55.3 t-20 58.33 95.56 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 111.623 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.71 0.38 5.69 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.565 2.176 . . . . 0.0 113.824 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 14.2 t -119.6 10.59 11.8 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 3' ' ' ASN . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp -89.31 -33.86 16.78 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.84 -10.15 59.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.7 pp -75.03 -43.69 52.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.853 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -55.03 -30.96 60.67 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.77 13.98 2.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -102.15 24.73 9.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.406 -0.806 . . . . 0.0 111.426 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.412 0.148 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 8' ' ' ILE . 44.5 t30 -119.32 89.52 40.24 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.534 ' HB2' HD12 ' A' ' 6' ' ' LEU . 66.7 Cg_endo -88.18 -4.09 6.87 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.713 2.275 . . . . 0.0 113.308 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 58.32 15.47 3.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 4' ' ' PRO . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 11' ' ' THR . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp -88.26 -38.55 15.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -43.33 95.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.039 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -62.81 -38.52 91.0 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.008 178.662 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' GLU . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 ' HB ' ' A' ' 41' ' ' VAL . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.75 -36.48 47.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.95 3.06 15.58 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 63.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.007 0.432 . . . . 0.0 111.352 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 37' ' ' ILE . 5.2 p . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.338 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.494 0.188 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.624 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -150.29 -63.07 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 3' ' ' ASN . 77.2 Cg_endo -84.63 -9.81 8.86 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.276 1.984 . . . . 0.0 114.216 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 t -123.69 7.69 8.83 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 3' ' ' ASN . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.607 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 5' ' ' SER . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.543 HG22 HD23 ' A' ' 15' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.96 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.96 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp -88.1 -31.77 19.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.9 -1.84 58.29 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 22' ' ' ALA . 2.6 pp -60.25 -41.32 92.95 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 33' ' ' GLN . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -31.92 18.42 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.71 6.98 7.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.2 t 73.13 59.26 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.972 0.415 . . . . 0.0 111.757 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.292 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.404 0.145 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.14 90.36 6.67 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.3 5.64 4.0 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.794 2.329 . . . . 0.0 114.278 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.8 t -55.97 -22.75 28.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 5' ' ' SER . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.903 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.903 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp -95.08 -31.43 13.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -38.19 89.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.266 0.555 . . . . 0.0 111.825 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.59 -33.01 63.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.358 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 33' ' ' GLN . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -40.93 60.23 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.63 12.51 3.78 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.77 53.48 1.23 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.955 0.407 . . . . 0.0 111.198 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.731 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.626 0.251 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.667 ' HA ' HD12 ' A' ' 6' ' ' LEU . 4.0 p-10 -107.75 80.21 0.95 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.22 -52.7 8.52 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.627 2.218 . . . . 0.0 112.108 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 22.5 t -142.98 16.51 1.93 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.601 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 3' ' ' ASN . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 11' ' ' THR . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 20' ' ' GLU . 3.0 pp -93.37 -38.42 11.48 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 19' ' ' LEU . 1.5 tt0 -58.87 -42.85 90.42 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.535 0.683 . . . . 0.0 111.257 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -60.52 -41.76 95.06 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.026 178.8 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -47.42 -37.74 12.1 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -6.7 8.95 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.1 p -119.85 17.97 12.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 38' ' ' PHE . 6.3 p . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.822 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.445 0.164 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.94 81.7 3.73 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.7 65.59 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.761 2.307 . . . . 0.0 113.128 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -94.02 6.21 49.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 10' ' ' LEU . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' THR . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 HG22 HD23 ' A' ' 15' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.4 pp -108.95 -33.04 7.04 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -69.39 -11.93 61.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.135 0.493 . . . . 0.0 112.224 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp -70.35 -37.85 74.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.908 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -32.22 16.17 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 5.79 7.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 t 74.95 62.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.242 0.544 . . . . 0.0 111.31 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' HD21 ' A' ' 10' ' ' LEU . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 7' ' ' SER . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.6 0.238 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 33' ' ' GLN . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.682 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 5' ' ' SER . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 11' ' ' THR . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 10' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.651 0.262 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' THR . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.4 pp . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 11' ' ' THR . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.517 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.912 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.2 pp . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.329 0.109 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 8' ' ' ILE . 33.1 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.972 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 15' ' ' LEU . 1.4 pp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.4 pp . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' NH1' ' HB3' ' A' ' 22' ' ' ALA . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 15' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp . . . . . 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.428 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 32' ' ' GLU . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.286 0.565 . . . . 0.0 111.46 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 7' ' ' SER . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.527 ' N ' HD12 ' A' ' 6' ' ' LEU . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.7 pp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.408 0.146 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 8' ' ' ILE . 27.9 t . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.495 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.652 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.689 ' CD2' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.845 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.464 0.24 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 HD23 ' A' ' 15' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 24' ' ' THR . 3.0 pp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 8' ' ' ILE . 15.0 t . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 5' ' ' SER . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' LEU . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.45 0.167 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 8' ' ' ILE . 10.8 t . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 5' ' ' SER . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 24' ' ' THR . 4.0 pp . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.558 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' GLN . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 33' ' ' GLN . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 8' ' ' ILE . 97.4 p . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 11' ' ' THR . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.006 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.006 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 11' ' ' THR . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.574 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 32' ' ' GLU . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 14.2 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.7 pp . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.373 0.13 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 11' ' ' THR . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' GLU . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 t . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 7' ' ' SER . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.607 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 5' ' ' SER . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.543 HG22 HD23 ' A' ' 15' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.96 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.96 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 22' ' ' ALA . 2.6 pp . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 33' ' ' GLN . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 5' ' ' SER . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.903 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.903 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.615 0.245 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 33' ' ' GLN . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 22.5 t . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.601 0.222 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 11' ' ' THR . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.0 pp . . . . . 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 10' ' ' LEU . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' THR . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.504 HG22 HD23 ' A' ' 15' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.4 pp . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.225 0.059 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.37 0.128 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.58 122.49 87.73 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.82 -17.44 25.66 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.335 2.024 . . . . 0.0 112.424 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.56 28.25 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -50.26 64.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.819 0.342 . . . . 0.0 111.354 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' HD21 ' A' ' 10' ' ' LEU . 4.5 p -75.97 -23.03 55.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.6 mm -76.38 -45.24 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.681 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 62.0 t0 -49.1 -62.83 1.32 Allowed 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.349 0.406 . . . . 0.0 110.213 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' ' 7' ' ' SER . 2.0 pp -53.62 -50.47 65.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.07 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 16.9 m -61.09 -54.94 38.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.9 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.91 -32.39 67.71 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 110.975 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -76.32 -50.49 14.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -64.87 -44.62 89.1 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -60.99 -36.44 79.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.414 179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.9 ttm-85 -57.76 -50.12 74.32 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 m -55.86 -46.24 78.29 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.218 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -52.83 -40.32 63.22 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.51 0.195 . . . . 0.0 111.305 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.9 pp -87.38 -39.99 14.81 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.635 0.255 . . . . 0.0 111.172 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.68 -44.31 85.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.551 0.691 . . . . 0.0 110.984 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -40.72 85.6 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.472 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.32 74.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.431 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -58.3 -51.6 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.3 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 m -58.51 -46.58 86.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.016 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' OE1' ' HD2' ' A' ' 28' ' ' ARG . 1.9 tp-100 -57.18 -48.52 78.53 Favored 'General case' 0 C--N 1.34 0.161 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' OG ' ' NH2' ' A' ' 30' ' ' ARG . 40.3 t -55.07 -45.76 75.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.704 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.78 -45.72 20.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.086 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 8.4 ptp85 -82.84 -38.29 23.22 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -57.73 3.9 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.162 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' NH2' ' OG ' ' A' ' 26' ' ' SER . 10.9 ptp180 -52.39 -37.76 57.22 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.774 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -41.37 31.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 110.709 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -65.67 -52.41 51.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.822 179.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -54.54 -34.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -58.15 -51.63 68.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.879 177.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 6.6 ptp85 -72.57 -35.61 67.99 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.711 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' GLU . 31.0 mm -60.21 -46.08 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 33' ' ' GLN . 39.6 mm -72.91 -45.21 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.239 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.97 -46.8 61.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.652 0.263 . . . . 0.0 111.168 179.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.39 4.7 17.15 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -151.75 55.48 0.85 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.877 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.391 0.139 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -127.13 78.66 74.08 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -82.78 15.82 1.97 Allowed 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.825 2.35 . . . . 0.0 113.725 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.682 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.04 -19.61 19.78 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -37.57 68.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.916 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.9 t -65.04 -37.57 88.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 5' ' ' SER . 4.5 mt -74.57 -47.83 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.903 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.9 t70 -45.97 -53.77 9.45 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.312 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 11' ' ' THR . 3.3 pp -71.65 -50.01 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.806 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.52 ' N ' HD12 ' A' ' 10' ' ' LEU . 27.3 m -57.81 -54.03 51.49 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.615 0.245 . . . . 0.0 111.27 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.1 t-80 -81.29 -41.39 22.22 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.312 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.53 -45.13 63.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.528 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.3 pp -63.54 -31.87 73.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.487 0.184 . . . . 0.0 111.396 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.9 ptm180 -48.02 -38.41 17.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.277 0.56 . . . . 0.0 110.603 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -46.1 80.12 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.464 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.4 pp -60.44 -28.41 68.27 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.3 pp -101.53 -36.45 8.79 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.31 -24.27 64.83 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.5 pp -57.84 -35.37 70.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.554 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -55.49 -40.4 71.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -68.19 -51.54 44.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.69 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -57.45 -48.66 78.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.15 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 2.7 tp-100 -59.11 -43.64 91.91 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.805 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -63.25 -42.94 99.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.165 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -49.43 -58.52 5.0 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -63.03 -44.51 95.74 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.141 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -48.18 -63.78 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.407 179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -57.17 -32.42 66.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.615 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.75 -42.59 60.9 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.977 0.418 . . . . 0.0 110.12 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 tp10 -72.34 -56.47 5.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.082 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.2 mp0 -48.07 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.939 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.93 -48.64 75.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.168 178.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -79.55 -33.09 42.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 27.9 mm -64.88 -45.99 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.958 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.8 mm -74.48 -40.54 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.034 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.74 -39.85 53.02 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.685 0.279 . . . . 0.0 111.496 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.32 12.97 7.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.181 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.74 53.13 1.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 111.045 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 37' ' ' ILE . 18.8 m . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.631 -0.699 . . . . 0.0 111.61 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.346 0.117 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -166.19 131.2 1.8 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 120.656 0.265 . . . . 0.0 111.241 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' O ' HG13 ' A' ' 8' ' ' ILE . 37.7 Cg_endo -64.9 -23.32 62.13 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.562 2.175 . . . . 0.0 113.351 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -63.45 -20.47 65.6 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.76 -40.1 76.31 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.897 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -77.39 -33.22 55.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.334 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 19.1 mt -81.95 -11.3 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 t70 -79.88 -59.62 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 110.323 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' THR . 1.8 pp -66.85 -52.56 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.111 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.418 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 m -53.43 -58.98 5.21 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.629 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -57.89 -29.21 64.87 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.477 0.179 . . . . 0.0 111.428 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.0 t-80 -83.53 -39.98 19.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.473 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -74.25 -41.81 60.69 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.534 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.2 -27.95 66.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.089 178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 6.0 ptm180 -49.6 -36.47 24.26 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.434 0.635 . . . . 0.0 109.823 178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -49.94 -49.38 50.24 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.669 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 15' ' ' LEU . 1.7 pp -59.54 -37.1 77.5 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.4 pp -86.37 -25.27 25.44 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.88 -33.3 27.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 111.78 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp -67.64 -42.35 82.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.831 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.94 -38.45 62.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.153 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 1.7 mmt-85 -65.05 -57.33 8.93 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.505 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.3 m -52.99 -43.71 66.67 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -60.08 -57.53 12.45 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -55.54 -40.14 71.47 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.172 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 2.8 tp60 -52.56 -52.77 53.42 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.355 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -77.09 -40.07 47.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.958 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -47.21 -63.16 1.11 Allowed 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.55 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -50.22 -34.02 21.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.8 -44.53 20.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.544 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -71.95 -51.34 22.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.771 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -51.64 -35.23 41.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -58.74 -48.86 79.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.869 178.056 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -77.27 -34.66 55.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.707 0.289 . . . . 0.0 110.711 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 25.5 mm -58.89 -47.3 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.6 mm -75.08 -37.01 39.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.675 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -49.88 -37.38 31.02 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.828 179.616 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -78.26 7.13 6.84 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.66 21.42 1.28 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.085 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.472 0.177 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -111.57 83.76 4.61 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.395 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.758 ' HB2' HD23 ' A' ' 6' ' ' LEU . 60.9 Cg_endo -72.27 -14.42 28.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.435 2.09 . . . . 0.0 112.668 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 67.26 7.16 5.29 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.758 HD23 ' HB2' ' A' ' 4' ' ' PRO . 1.2 pp -68.64 -49.43 59.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -79.45 -26.32 41.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.68 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 8.2 mm -71.87 -47.93 53.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.815 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 11.1 t70 -47.94 -59.68 3.16 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.908 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 11' ' ' THR . 2.5 pp -61.16 -50.29 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.501 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 25.8 m -60.26 -54.5 44.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -59.64 -31.13 69.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.735 0.302 . . . . 0.0 110.665 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.517 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.5 t-80 -74.75 -46.28 38.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.75 -46.92 56.93 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.912 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -62.17 -36.93 83.38 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.719 0.295 . . . . 0.0 111.002 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 9.0 ttm180 -52.4 -52.23 54.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.06 0.457 . . . . 0.0 110.114 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -58.27 -44.2 88.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.216 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -61.1 -40.51 94.03 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.5 pp -81.86 -33.51 30.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.2 tp10 -69.19 -24.16 64.01 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.224 0.535 . . . . 0.0 112.057 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.2 pp -76.38 -40.39 51.16 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.82 -59.14 5.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.981 0.419 . . . . 0.0 111.467 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -56.55 -45.94 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.375 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.7 m -59.15 -50.58 73.51 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 17.5 tp60 -54.0 -50.96 65.43 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 t -57.71 -47.97 80.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.433 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 2.5 tp-100 -48.3 -50.87 28.43 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.973 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 4.5 ptm180 -75.01 -39.68 61.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.55 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -56.29 -53.08 61.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 3.4 ptp180 -60.06 -38.03 81.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.29 87.1 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -68.25 -58.02 5.07 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.852 177.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -47.43 -41.09 19.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.19 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -45.36 73.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 1.2 ptm180 -88.37 -30.3 19.62 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.972 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.569 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 9.9 mm -59.5 -47.39 91.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -65.67 -42.04 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.412 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -43.02 99.89 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.46 -1.13 19.84 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.5 p -130.42 44.03 3.03 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.457 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.155 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 120.603 0.239 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.559 ' O ' HD23 ' A' ' 6' ' ' LEU . 11.1 p30 -79.45 157.88 74.5 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.66 12.32 2.64 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.524 2.149 . . . . 0.0 114.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 8' ' ' ILE . 33.1 t -124.88 12.64 8.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 3' ' ' ASN . 1.8 pp -59.47 -42.91 93.1 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.748 0.308 . . . . 0.0 111.556 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.59 -18.21 48.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.579 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.7 mt -79.3 -46.58 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -46.36 -55.01 7.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.942 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.53 -49.78 61.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.28 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 61.4 m -57.84 -51.89 67.75 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.33 -32.6 64.82 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.648 0.261 . . . . 0.0 111.192 179.215 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -78.22 -47.65 17.52 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.886 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 11' ' ' THR . 3.4 pp -68.33 -45.34 73.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.954 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.972 ' HA ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -63.86 -39.48 94.31 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.58 -54.57 45.54 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -53.46 -46.58 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.407 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -57.71 -35.77 71.09 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 15' ' ' LEU . 1.4 pp -95.95 -29.77 13.98 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.17 -28.73 38.73 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.4 pp -53.17 -30.53 37.78 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.558 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . . . -51.72 -29.61 19.11 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' NH1' ' HB3' ' A' ' 22' ' ' ALA . 6.5 mmt-85 -77.67 -56.94 4.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.3 m -49.03 -45.94 43.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.723 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -54.75 -60.97 2.64 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.743 178.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -58.22 -41.13 83.43 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.469 178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -45.48 -50.69 12.48 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.5 -37.66 22.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.057 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -50.17 -53.73 25.71 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.534 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 26' ' ' SER . 13.4 ptm180 -50.3 -31.68 14.97 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.48 -43.85 20.17 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -74.54 -51.21 15.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -51.98 -35.67 47.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.156 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -59.43 -47.66 84.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.035 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 11.0 ptm180 -77.91 -33.2 51.94 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.846 -0.341 . . . . 0.0 111.048 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' GLU . 16.6 mm -58.38 -48.01 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.535 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.3 mt -74.99 -36.58 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.706 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -47.04 -34.16 5.5 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -6.29 9.13 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -132.1 38.2 3.52 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 111.226 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.12 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.591 0.234 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.2 82.67 11.77 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.004 0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.3 2.88 8.25 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.697 2.265 . . . . 0.0 114.16 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -58.49 -32.59 68.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.956 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.43 -43.66 79.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.513 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -72.93 -35.52 67.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.566 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 mm -68.01 -47.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.687 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 9.0 t70 -45.4 -56.62 4.79 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.287 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.53 -46.86 65.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.448 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 15' ' ' LEU . 17.6 m -60.55 -53.2 60.42 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.353 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -60.25 -31.68 70.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.704 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.0 t-80 -75.29 -45.2 41.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -73.13 -45.22 58.14 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.466 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.2 pp -63.02 -33.46 75.47 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.439 0.161 . . . . 0.0 111.429 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -45.86 -45.46 15.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.562 0.696 . . . . 0.0 109.752 178.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -49.73 50.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.641 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.91 -37.42 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.2 pp -85.7 -36.34 20.29 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.354 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.93 -44.56 97.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.596 0.713 . . . . 0.0 110.567 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.48 -41.77 88.45 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.712 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.65 88.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.865 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -59.46 -50.52 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.002 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -47.23 79.35 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -55.18 -52.49 63.17 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.079 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -57.3 -48.53 78.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.935 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.428 ' OE1' ' HD3' ' A' ' 30' ' ' ARG . 4.9 tp-100 -51.74 -41.94 61.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.905 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -84.16 -36.96 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.438 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-10 -63.57 -45.56 89.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 5.3 ptm180 -50.94 -37.3 43.52 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.819 0.342 . . . . 0.0 111.502 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.91 -40.49 47.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -72.91 -51.67 17.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.635 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -39.35 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -47.76 80.8 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.156 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 12.3 ptm180 -77.92 -33.66 51.68 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.962 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 32' ' ' GLU . 12.5 mm -63.15 -46.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 110.048 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.56 -39.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.21 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -44.54 63.83 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.48 13.19 18.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.006 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.1 63.73 0.15 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.136 0.493 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.451 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.514 0.197 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.416 ' OD1' ' HD2' ' A' ' 4' ' ' PRO . 1.1 t-20 -109.83 140.57 22.38 Favored Pre-proline 0 N--CA 1.464 0.244 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 3' ' ' ASN . 58.0 Cg_endo -69.04 57.96 1.18 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.614 2.209 . . . . 0.0 112.42 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER 61.07 48.17 6.67 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.46 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -106.27 -56.87 2.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -81.4 -19.18 43.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.073 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 mt -99.23 2.27 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.667 0.27 . . . . 0.0 111.667 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -96.24 -51.11 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.071 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -73.45 -53.29 11.03 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.444 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -56.75 -54.56 44.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.553 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -58.59 -30.91 67.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.558 0.218 . . . . 0.0 111.204 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.86 -46.86 20.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.029 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.94 -41.75 74.15 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.2 pp -63.1 -31.36 72.48 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.267 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 17' ' ' THR . 2.9 ttm-85 -48.36 -54.8 12.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 m -48.09 -46.11 33.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.228 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -54.24 -38.39 65.71 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.1 pp -88.81 -36.27 16.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 110.951 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.49 -45.61 84.7 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.834 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 25' ' ' GLN . 2.0 pp -64.63 -40.57 95.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.77 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.47 98.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.371 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmp_? -62.31 -52.89 61.88 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.991 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -43.82 90.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.806 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -59.02 -50.55 73.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -54.85 -46.47 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.829 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -53.43 -40.56 65.25 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.54 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 9.0 ptp180 -85.28 -40.68 16.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.411 178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.7 tm-20 -54.78 -52.26 63.18 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.001 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -52.84 -36.84 59.36 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.455 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.32 67.11 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.007 0.432 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -71.55 -52.93 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.113 178.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 5.7 mm-40 -48.45 -43.52 34.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.206 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.79 -46.01 74.4 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.261 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.4 ptm180 -79.52 -32.75 42.38 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.927 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 10.2 mm -57.46 -50.03 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 109.907 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.43 -39.59 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.646 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -57.75 -28.65 64.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.425 178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 40' ' ' SER . 12.4 m-20 -72.47 0.34 10.57 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 33.3 t 76.95 16.57 1.78 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.938 0.495 . . . . 0.0 112.057 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.8 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.392 0.139 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' O ' HD23 ' A' ' 6' ' ' LEU . 18.5 t30 -122.88 135.46 25.83 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.71 -18.47 12.25 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.908 2.405 . . . . 0.0 113.93 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -96.65 10.34 38.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 7' ' ' SER . 4.1 pp -59.52 -42.09 91.47 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.669 0.271 . . . . 0.0 111.049 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.527 ' N ' HD12 ' A' ' 6' ' ' LEU . 20.3 m -66.06 -34.59 78.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 7.2 mm -75.89 -43.97 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.477 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.2 t70 -45.3 -57.2 4.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.881 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.07 -49.11 60.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.595 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 31.6 m -56.54 -53.41 57.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.228 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.41 -30.75 70.76 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 179.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -77.3 -45.22 26.97 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.902 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.0 pp -71.83 -44.15 64.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.404 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -64.03 -37.72 88.45 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.954 179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 10.5 ttp85 -50.27 -58.89 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.22 0.533 . . . . 0.0 109.645 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 37.1 m -47.9 -40.98 23.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -54.36 -39.11 66.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.648 0.261 . . . . 0.0 111.115 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.3 pp -94.24 -17.31 22.81 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.03 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.2 tt0 -79.94 -37.24 34.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.7 pp -62.45 -41.9 99.07 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.645 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -52.65 -47.4 67.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.176 0.513 . . . . 0.0 110.576 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -53.57 52.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.3 m -54.71 -47.81 73.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.353 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 1.5 tp-100 -62.24 -49.53 75.37 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 t -54.03 -44.9 71.37 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.054 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -45.6 -47.18 14.66 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.337 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ptp85 -87.43 -39.97 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.49 -52.62 36.65 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 16.3 ptp180 -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.69 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.29 91.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.175 0.512 . . . . 0.0 109.628 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -73.32 -54.27 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.8 178.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -50.3 -42.13 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.378 178.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -57.07 -42.66 81.02 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.454 178.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 9.2 ptm180 -81.14 -31.08 34.32 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.121 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -62.05 -52.4 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.048 0.451 . . . . 0.0 110.771 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.78 -32.08 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -31.44 15.09 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -81.48 8.55 9.21 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.7 t 72.04 57.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.666 0.386 . . . . 0.0 111.88 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.252 1.225 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.366 179.334 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.282 0.087 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -166.26 -63.45 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 3' ' ' ASN . 72.0 Cg_endo -74.86 60.06 5.23 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.373 2.049 . . . . 0.0 113.459 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 8' ' ' ILE . 27.9 t -110.98 8.7 22.09 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.27 -47.13 85.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.743 0.306 . . . . 0.0 111.114 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.495 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.689 HG22 ' CD2' ' A' ' 12' ' ' PHE . 4.3 mt -82.57 -45.5 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.359 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -48.53 -56.91 7.07 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.051 0.453 . . . . 0.0 110.591 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 7' ' ' SER . 3.3 pp -60.18 -45.3 93.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.89 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.652 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 m -64.27 -53.41 49.45 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.689 ' CD2' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -49.98 -37.8 34.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 178.226 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -47.76 21.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -65.98 -44.58 84.5 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.982 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.845 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.9 pp -62.58 -42.68 99.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.114 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.4 ttp180 -58.29 -49.64 76.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 11.7 m -61.71 -43.25 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.151 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.845 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.84 -40.26 94.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.543 0.211 . . . . 0.0 111.348 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -80.93 -33.38 34.13 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.63 -2.11 58.42 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -59.91 -42.42 93.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.8 -46.17 91.54 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.004 0.43 . . . . 0.0 110.378 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -61.5 -51.3 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.912 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.11 -44.45 91.99 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.3 tp-100 -63.96 -47.88 78.66 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.1 t -57.72 -42.62 84.18 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 30' ' ' ARG . 6.4 tp-100 -47.39 -43.26 23.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 7.3 ptp85 -85.29 -42.44 14.62 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -50.53 69.37 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.939 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 27' ' ' GLN . 5.3 ptm180 -53.52 -34.16 57.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.407 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.41 55.6 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.857 0.36 . . . . 0.0 110.619 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -74.72 -56.65 4.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.074 178.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 2.2 mm100 -49.43 -35.13 18.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.24 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -56.99 -46.81 81.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.316 178.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 10.5 ptp85 -82.87 -32.34 27.47 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.534 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.4 mm -57.17 -51.83 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.967 0.413 . . . . 0.0 110.109 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.4 mm -69.39 -41.8 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.334 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -54.0 -35.62 62.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 179.193 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.4 OUTLIER -72.27 0.2 10.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.5 t 69.84 54.98 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 36' ' ' ILE . 7.9 p . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.579 -0.724 . . . . 0.0 111.263 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 120.505 0.193 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -150.33 122.57 4.14 Favored Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.309 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 6' ' ' LEU . 87.4 Cg_endo -80.72 40.59 1.01 Allowed 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.731 2.288 . . . . 0.0 112.585 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 5.0 p 49.36 31.35 3.78 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 4' ' ' PRO . 1.0 OUTLIER -57.56 -50.63 72.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.769 0.319 . . . . 0.0 111.64 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 t -72.48 -24.77 61.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.991 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 4.2 mm -75.56 -50.62 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.668 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -43.76 -48.79 8.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.692 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.42 -46.16 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.544 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.579 HG22 HD23 ' A' ' 15' ' ' LEU . 21.1 m -64.89 -48.29 74.78 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -57.09 -33.17 67.03 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.633 0.254 . . . . 0.0 111.216 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 t60 -79.68 -36.91 36.9 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.544 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -77.83 -43.5 30.25 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.177 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HG22 ' A' ' 11' ' ' THR . 2.4 pp -65.74 -27.46 68.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.783 -0.19 . . . . 0.0 111.144 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 7.1 ptm180 -49.54 -37.04 25.45 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 109.901 178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.08 -40.59 67.35 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.446 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 21' ' ' LEU . 1.3 pp -65.82 -38.19 88.26 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -88.95 -30.19 18.99 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 111.415 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.87 2.16 55.33 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 24' ' ' THR . 3.0 pp -64.79 -44.7 89.09 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -56.76 -34.27 67.42 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.7 -52.56 12.86 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.355 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.53 -46.77 70.26 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 3.9 tp60 -57.75 -54.8 42.74 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -58.38 -44.56 88.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.912 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.16 -42.24 69.38 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' THR . 6.2 ptp85 -86.78 -35.3 19.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.237 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.3 tt0 -52.6 -51.88 57.88 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.116 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -51.41 -35.28 38.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.759 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.97 33.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.678 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.86 -53.66 20.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.155 179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.52 -37.97 51.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -59.15 -45.59 90.58 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.435 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.6 ptm180 -81.55 -31.16 32.8 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.598 0.237 . . . . 0.0 111.451 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mm -68.19 -44.56 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.119 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.6 mt -76.08 -33.29 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.41 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.79 -31.53 17.19 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 11.83 2.4 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.77 62.04 0.36 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.937 -0.477 . . . . 0.0 111.293 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.355 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.074 -0.013 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 6' ' ' LEU . 48.0 t-20 61.46 103.03 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 123.4 0.438 . . . . 0.0 111.781 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.59 4.53 4.44 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.543 2.162 . . . . 0.0 113.744 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 8' ' ' ILE . 15.0 t -122.21 13.71 10.43 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 3' ' ' ASN . 2.9 pp -65.49 -42.31 92.31 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.6 m -75.27 -31.27 60.69 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.207 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 5' ' ' SER . 40.3 mt -65.2 -51.91 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.343 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 10.1 t0 -45.73 -46.8 15.24 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.157 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -79.72 -53.76 6.51 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 3.5 m -55.53 -49.65 72.07 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.561 -0.087 . . . . 0.0 111.041 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.15 -20.88 65.79 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.632 0.253 . . . . 0.0 111.091 178.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -86.64 -48.87 7.94 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.855 0.36 . . . . 0.0 110.291 179.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 15' ' ' LEU . 2.5 pp -64.61 -48.42 74.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.749 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -64.27 -39.15 93.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.542 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.9 ttp180 -59.11 -46.81 87.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -50.26 -37.16 34.54 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.587 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -73.22 -19.72 61.02 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -106.87 -32.49 7.9 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' OE2' ' HD2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -78.39 -11.31 59.94 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp -62.84 -40.74 98.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.99 -45.55 90.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 110.394 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -67.43 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.702 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -46.2 89.22 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.9 tp-100 -63.96 -47.27 81.1 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.2 t -61.6 -41.87 98.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.342 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -41.54 -41.7 2.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.592 0.357 . . . . 0.0 111.181 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 1.1 ptm180 -93.07 -41.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.473 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -55.65 -45.95 77.56 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.55 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' SER . 8.5 ptm180 -50.77 -41.38 56.84 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.81 -38.76 37.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -68.57 -52.64 29.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.61 -38.04 63.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -50.39 73.72 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.839 178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.9 ptm180 -71.76 -34.4 69.44 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.538 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 32' ' ' GLU . 33.3 mm -64.36 -46.26 93.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.292 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.66 -47.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.954 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.62 -41.79 61.53 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.66 3.34 33.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 41' ' ' VAL . 7.2 p -130.43 16.32 5.46 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 40' ' ' SER . 35.3 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.962 -1.018 . . . . 0.0 112.086 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.54 70.87 82.08 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-O 121.017 0.437 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -77.29 54.74 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.616 2.211 . . . . 0.0 112.962 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 8' ' ' ILE . 10.8 t -105.89 7.86 32.37 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -50.08 75.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.2 m -65.71 -28.96 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 5' ' ' SER . 20.4 mt -73.14 -49.95 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.379 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 5.4 t70 -46.31 -56.34 5.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.934 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.74 -49.69 65.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.534 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 50.7 m -58.01 -55.26 37.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.364 0.126 . . . . 0.0 111.299 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -57.94 -30.81 66.27 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.66 0.267 . . . . 0.0 111.266 179.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 3.5 t-80 -83.18 -41.88 17.94 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.585 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.66 -40.74 69.45 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -69.23 -26.43 64.79 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.489 0.185 . . . . 0.0 111.226 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 13' ' ' HIS . 4.6 ptm180 -53.17 -39.81 63.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.065 0.459 . . . . 0.0 110.926 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -60.05 -37.89 81.17 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.6 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -66.75 -26.6 67.06 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.5 pp -101.42 -37.15 8.57 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -15.27 63.08 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -69.72 -37.62 76.6 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.25 -42.98 67.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.741 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.2 ptp85 -73.67 -41.43 62.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.429 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.558 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -64.9 -41.86 95.24 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -51.76 67.09 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 10.0 t -55.52 -48.88 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.117 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -48.97 -37.99 21.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.5 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -87.22 -46.07 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.076 0.465 . . . . 0.0 110.18 179.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' GLN . 2.0 mt-10 -51.08 -49.01 61.47 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.341 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' SER . 4.4 ptm180 -52.81 -40.08 62.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.404 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.78 31.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.032 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 35' ' ' ARG . 2.3 mt-10 -70.18 -48.24 58.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -56.32 -37.63 70.2 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -40.98 89.95 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ptm180 -78.57 -29.68 46.36 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.362 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' GLN . 77.8 mt -63.04 -42.73 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 120.805 0.336 . . . . 0.0 111.499 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.703 HG22 ' HB ' ' A' ' 41' ' ' VAL . 15.5 mm -68.73 -40.9 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.286 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.59 -41.64 31.36 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.37 3.55 15.35 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.43 63.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.999 0.428 . . . . 0.0 111.044 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.703 ' HB ' HG22 ' A' ' 37' ' ' ILE . 11.1 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.467 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' HB3' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 120.676 0.274 . . . . 0.0 111.477 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' OD1' ' HD2' ' A' ' 4' ' ' PRO . 2.3 m-80 -115.15 152.44 46.72 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HD2' ' OD1' ' A' ' 3' ' ' ASN . 72.5 Cg_endo -72.69 49.4 1.5 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.464 2.109 . . . . 0.0 112.709 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.445 ' HA ' HD12 ' A' ' 8' ' ' ILE . 97.4 p -162.13 26.25 0.11 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.114 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.825 HD11 ' HB3' ' A' ' 2' ' ' ASP . 3.1 mt -70.66 -60.75 2.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 0.0 110.365 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 11' ' ' THR . 3.6 m -75.17 -24.41 57.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.927 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 15.2 mt -75.29 -14.37 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 13.5 t70 -78.97 -56.23 4.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.919 0.39 . . . . 0.0 111.125 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 11' ' ' THR . 2.2 pp -72.83 -51.68 17.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -57.55 -53.78 54.24 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -63.2 -20.12 65.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 1.5 t-80 -86.95 -50.41 6.7 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.7 pp -63.84 -48.75 75.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.557 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.006 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.9 pp -65.06 -38.81 92.03 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.833 0.349 . . . . 0.0 110.716 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.8 ttp180 -61.38 -52.95 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -56.0 -37.91 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.107 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.006 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.18 -23.58 65.78 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 3.7 pp -108.17 -35.1 6.66 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -82.15 2.5 31.22 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.02 -27.61 68.93 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.566 0.222 . . . . 0.0 110.498 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.26 -39.3 66.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -59.14 -50.93 72.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.3 m -58.87 -45.37 90.32 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.48 -55.01 24.9 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -52.06 -49.59 63.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.214 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -51.16 -45.55 61.74 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.302 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -82.25 -42.46 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.981 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -50.46 -54.9 18.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 18.4 ptp180 -52.98 -32.59 47.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.656 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.27 -47.27 24.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.989 0.424 . . . . 0.0 110.416 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 tp10 -68.38 -54.18 18.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.615 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.4 mm100 -51.66 -35.73 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.821 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -57.48 -50.04 74.35 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.029 178.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 4.4 ptm180 -75.48 -34.39 60.88 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 120.654 0.264 . . . . 0.0 110.453 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 33' ' ' GLN . 26.0 mm -61.32 -43.47 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.072 0.463 . . . . 0.0 110.298 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.5 mm -75.85 -49.14 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.451 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -50.29 -42.44 52.45 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 111.245 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.2 0.61 18.46 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.76 15.51 3.36 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.967 -0.54 . . . . 0.0 112.379 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.0 t0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.427 0.156 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -173.98 129.15 0.48 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.184 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.667 ' HG2' HD23 ' A' ' 6' ' ' LEU . 60.0 Cg_endo -71.12 -9.37 25.43 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.549 2.166 . . . . 0.0 113.314 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.73 17.51 9.81 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 4' ' ' PRO . 1.9 pp -53.06 -41.69 65.08 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 p -74.12 -28.51 61.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.693 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 28.6 mt -83.3 -43.95 18.45 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.721 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 1.7 t0 -47.03 -43.37 19.61 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.522 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 11' ' ' THR . 3.4 pp -81.54 -47.54 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.356 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 22.4 m -59.69 -49.58 77.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.782 -0.19 . . . . 0.0 110.833 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -61.91 -31.1 71.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 178.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -73.29 -41.6 63.4 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.871 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -78.62 -45.84 20.64 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.208 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.3 pp -62.7 -31.83 72.81 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.651 0.262 . . . . 0.0 110.959 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -47.44 -49.23 25.79 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 178.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 10.9 m -54.06 -40.45 67.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.937 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -53.63 -35.84 61.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.7 pp -98.68 -34.06 10.69 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.68 -16.94 60.11 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 22' ' ' ALA . 3.9 pp -59.3 -42.98 92.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.566 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -61.64 -41.13 97.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.262 0.553 . . . . 0.0 109.865 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.66 -52.13 62.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.778 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.0 m -57.94 -43.13 86.13 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -59.08 -54.12 50.6 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.665 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -55.74 -44.35 77.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 tp-100 -50.54 -38.72 46.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.549 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 17.2 ptm180 -91.11 -36.82 13.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.8 0.333 . . . . 0.0 110.681 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -64.14 -38.86 92.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 8.3 ptm180 -47.61 -38.47 14.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.54 -39.74 44.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 5.1 mm-40 -71.58 -52.67 16.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.199 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -53.14 -39.09 63.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.049 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -59.28 -45.23 91.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.56 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 9.1 ptp85 -80.55 -28.32 37.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.82 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 32' ' ' GLU . 25.4 mm -63.86 -48.64 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.002 0.43 . . . . 0.0 110.396 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.736 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.2 mt -73.89 -30.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.966 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -51.11 -30.54 16.49 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -76.79 4.56 9.43 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 42.5 t 74.3 62.51 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.981 0.419 . . . . 0.0 111.497 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 37' ' ' ILE . 9.0 p . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.461 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.078 -0.011 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 6' ' ' LEU . 55.3 t-20 58.33 95.56 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.097 0.475 . . . . 0.0 111.623 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.71 0.38 5.69 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 122.565 2.176 . . . . 0.0 113.824 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 14.2 t -119.6 10.59 11.8 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 3' ' ' ASN . 1.3 pp -64.64 -36.64 84.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.68 0.276 . . . . 0.0 111.446 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 p -84.06 -21.72 31.46 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.369 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 34.0 mt -75.45 -45.39 40.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 22.0 t70 -46.77 -58.37 3.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.112 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -64.52 -46.48 82.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.407 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 27.3 m -61.57 -54.32 44.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.15 -33.19 64.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.639 0.257 . . . . 0.0 111.17 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -79.74 -39.95 29.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.41 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.9 pp -76.34 -42.76 43.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.142 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 pp -64.24 -34.59 78.47 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.461 0.172 . . . . 0.0 110.952 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.27 -42.37 6.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.548 0.689 . . . . 0.0 110.025 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -51.6 -47.23 63.66 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.198 179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.63 -37.47 68.24 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp -89.31 -33.86 16.78 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.84 -10.15 59.41 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.7 pp -75.03 -43.69 52.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.853 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -60.58 -46.16 91.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.101 0.476 . . . . 0.0 110.376 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -59.1 -51.89 68.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.704 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -56.87 -47.63 80.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.42 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.505 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -60.95 -42.06 97.52 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.3 -50.83 64.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.609 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 10.9 ptm180 -71.96 -38.22 69.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -43.67 -62.3 1.14 Allowed 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.568 178.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -49.34 -31.82 10.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.75 -32.18 19.27 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 111.339 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -86.05 -46.23 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.071 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.4 mm-40 -56.98 -37.92 72.29 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -58.21 -42.83 87.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.468 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 5.6 ptp180 -85.25 -31.22 23.24 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.088 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mm -70.76 -45.26 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.082 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.3 mm -73.62 -30.47 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -55.03 -30.96 60.67 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.77 13.98 2.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -102.15 24.73 9.73 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.406 -0.806 . . . . 0.0 111.426 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.412 0.148 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 8' ' ' ILE . 44.5 t30 -119.32 89.52 40.24 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.534 ' HB2' HD12 ' A' ' 6' ' ' LEU . 66.7 Cg_endo -88.18 -4.09 6.87 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.713 2.275 . . . . 0.0 113.308 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 58.32 15.47 3.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 4' ' ' PRO . 8.2 mt -89.2 -49.26 6.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.362 0.601 . . . . 0.0 109.622 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 -23.24 43.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 10.6 mt -90.66 -4.33 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 17.7 t70 -87.96 -64.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 11' ' ' THR . 2.3 pp -59.64 -51.31 70.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.7 m -58.56 -59.19 5.77 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.08 -29.52 65.5 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.074 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.3 t-80 -77.99 -48.46 16.17 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.75 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -68.03 -43.86 77.8 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.312 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.799 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.47 -36.38 83.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.706 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.0 ttm-85 -56.68 -54.74 42.68 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -51.79 -43.6 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -57.89 -40.07 79.39 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.637 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.6 pp -88.26 -38.55 15.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.546 0.212 . . . . 0.0 111.513 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -43.33 95.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.039 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -62.81 -38.52 91.0 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.008 178.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.33 92.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.985 178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -57.28 -52.24 66.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.108 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -56.7 -46.87 80.95 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.302 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 1.5 tp-100 -61.54 -48.45 80.95 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.2 t -55.34 -43.02 74.58 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.058 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -42.68 -45.86 4.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.785 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -89.79 -40.1 12.69 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -47.99 -49.27 31.31 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.29 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.1 ptp180 -55.32 -41.51 72.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.764 0.316 . . . . 0.0 111.36 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . . . -73.77 -36.99 65.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.28 -53.26 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.346 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -55.13 -36.82 66.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -56.42 -45.28 80.78 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.588 178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -78.5 -31.65 47.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.985 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' GLU . 65.7 mt -62.89 -48.7 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 110.456 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 ' HB ' ' A' ' 41' ' ' VAL . 47.3 mm -68.72 -40.8 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.724 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.75 -36.48 47.46 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.644 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.95 3.06 15.58 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 63.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.007 0.432 . . . . 0.0 111.352 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 37' ' ' ILE . 5.2 p . . . . . 0 C--O 1.252 1.217 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.338 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.494 0.188 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.624 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -150.29 -63.07 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 3' ' ' ASN . 77.2 Cg_endo -84.63 -9.81 8.86 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.276 1.984 . . . . 0.0 114.216 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 t -123.69 7.69 8.83 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 3' ' ' ASN . 3.0 pp -62.59 -40.75 97.91 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.66 0.267 . . . . 0.0 111.11 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.607 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.1 p -78.52 -23.51 46.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 5' ' ' SER . 58.0 mt -70.79 -50.95 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.43 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -47.41 -43.0 23.32 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 7' ' ' SER . 2.8 pp -82.14 -48.67 11.05 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.649 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.543 HG22 HD23 ' A' ' 15' ' ' LEU . 15.6 m -59.7 -49.07 79.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.391 0.138 . . . . 0.0 110.682 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -62.89 -21.41 65.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 178.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -48.55 9.99 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.143 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 11' ' ' THR . 2.4 pp -67.64 -48.95 65.25 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.96 ' HA ' HD23 ' A' ' 18' ' ' LEU . 3.4 pp -61.83 -39.94 93.56 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.562 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.2 ttp180 -59.69 -52.66 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m -55.45 -39.65 70.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.009 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.96 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.33 -35.88 76.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.396 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pp -88.1 -31.77 19.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.9 -1.84 58.29 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 22' ' ' ALA . 2.6 pp -60.25 -41.32 92.95 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -58.48 -45.85 87.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.129 0.49 . . . . 0.0 109.913 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -62.69 -51.21 68.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.758 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.19 83.89 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.252 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.21 -49.76 63.39 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -58.0 -36.59 72.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.134 178.274 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.39 -41.09 60.46 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -88.3 -38.1 15.45 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -46.72 -50.01 18.65 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.109 178.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 1.5 ptm180 -51.13 -36.24 39.74 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.988 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.5 -42.93 24.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -70.69 -50.07 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.655 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -56.66 -35.31 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -61.03 -43.59 98.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.409 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 2.4 ptm180 -78.01 -31.08 50.38 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.023 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 33' ' ' GLN . 74.3 mt -63.26 -51.28 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.297 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -31.92 18.42 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -78.71 6.98 7.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 40.2 t 73.13 59.26 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.972 0.415 . . . . 0.0 111.757 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.292 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.404 0.145 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -108.14 90.36 6.67 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.3 5.64 4.0 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.794 2.329 . . . . 0.0 114.278 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.674 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.8 t -55.97 -22.75 28.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -45.13 74.18 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.93 -25.69 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.682 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 5' ' ' SER . 31.3 mt -75.14 -43.25 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.388 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 3.6 t0 -47.67 -59.18 3.46 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.713 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.97 -50.2 71.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.188 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 24.0 m -58.04 -54.69 44.07 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.264 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -61.54 -28.49 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.042 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.1 t-80 -80.62 -45.73 16.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.944 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.1 pp -69.31 -46.19 67.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.443 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.903 ' HA ' HD23 ' A' ' 18' ' ' LEU . 1.2 pp -64.01 -34.73 78.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.1 tpp85 -55.17 -56.85 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.082 0.468 . . . . 0.0 109.991 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 m -54.11 -41.35 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.537 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.903 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -58.15 -36.09 72.48 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 4.1 pp -95.08 -31.43 13.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -38.19 89.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.266 0.555 . . . . 0.0 111.825 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.59 -33.01 63.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.358 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 26' ' ' SER . . . -56.85 -39.74 74.83 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-O 120.954 0.407 . . . . 0.0 110.185 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -66.88 -49.05 66.85 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m -58.8 -47.14 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.785 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' A' ' 25' ' ' GLN . 1.6 tp-100 -63.6 -50.09 70.77 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.595 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 22' ' ' ALA . 3.0 t -55.84 -39.43 71.4 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.851 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 1.7 tp-100 -49.16 -42.2 38.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -90.09 -39.24 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -47.79 66.53 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.402 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.52 ' HD2' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -55.45 -40.24 71.33 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.61 75.18 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 1.2 mt-10 -68.85 -50.2 51.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.849 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -51.33 -42.6 61.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.623 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -46.92 82.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.119 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 14.0 ptm180 -74.49 -33.37 62.83 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.718 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 33' ' ' GLN . 79.7 mt -61.56 -48.16 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 33' ' ' GLN . 22.3 mm -69.95 -38.63 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.644 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -40.93 60.23 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.654 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.63 12.51 3.78 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.77 53.48 1.23 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.955 0.407 . . . . 0.0 111.198 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.731 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.626 0.251 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.667 ' HA ' HD12 ' A' ' 6' ' ' LEU . 4.0 p-10 -107.75 80.21 0.95 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.22 -52.7 8.52 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.627 2.218 . . . . 0.0 112.108 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 8' ' ' ILE . 22.5 t -142.98 16.51 1.93 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.601 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 3' ' ' ASN . 36.2 mt -65.14 -58.94 4.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.174 0.512 . . . . 0.0 110.201 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' THR . 11.9 m -59.72 -36.8 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.571 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 21.3 mt -69.5 -28.26 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.402 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -77.76 -32.35 52.54 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 11' ' ' THR . 2.8 pp -91.33 -51.36 5.33 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG ' ' A' ' 14' ' ' LEU . 1.3 m -59.09 -50.25 74.78 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.401 -0.187 . . . . 0.0 111.382 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.649 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.04 -20.5 65.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.868 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -50.63 7.48 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.156 178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 pp -64.67 -46.69 81.36 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD23 ' A' ' 18' ' ' LEU . 2.7 pp -63.51 -40.9 98.26 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.139 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.2 ttp180 -59.77 -52.15 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -53.75 -43.64 69.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.121 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -60.41 -35.17 75.15 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 20' ' ' GLU . 3.0 pp -93.37 -38.42 11.48 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 19' ' ' LEU . 1.5 tt0 -58.87 -42.85 90.42 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.535 0.683 . . . . 0.0 111.257 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -60.52 -41.76 95.06 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.026 178.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -62.29 -45.87 91.31 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 109.781 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -48.9 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.715 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -47.02 86.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.136 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.5 tp60 -60.86 -47.85 84.48 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.6 t -59.26 -47.3 85.87 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.409 178.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -39.44 -46.84 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.048 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -88.25 -41.47 12.9 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -55.16 -45.97 75.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.549 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 26' ' ' SER . 10.6 ptm180 -53.05 -34.13 55.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.357 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.15 -39.06 30.14 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -74.46 -54.82 6.81 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.718 179.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -49.31 -34.21 15.1 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.378 179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -39.87 86.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HD2' ' OE1' ' A' ' 32' ' ' GLU . 9.9 ptp85 -92.92 -28.63 16.35 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.039 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 32' ' ' GLU . 21.6 mm -59.1 -40.49 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 121.079 0.466 . . . . 0.0 110.671 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.09 -34.5 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.542 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -47.42 -37.74 12.1 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -6.7 8.95 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.1 p -119.85 17.97 12.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 38' ' ' PHE . 6.3 p . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.822 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.445 0.164 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -111.94 81.7 3.73 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.7 65.59 4.8 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.761 2.307 . . . . 0.0 113.128 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -94.02 6.21 49.23 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -48.97 77.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.745 0.307 . . . . 0.0 111.052 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 10' ' ' LEU . 48.8 m -62.13 -32.46 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.283 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 30.6 mt -73.65 -50.45 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.984 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 4.3 t0 -46.03 -54.34 8.59 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.987 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' THR . 2.6 pp -68.56 -50.38 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.739 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 HG22 HD23 ' A' ' 15' ' ' LEU . 28.2 m -57.94 -54.52 45.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.319 0.104 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -58.54 -31.17 67.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 111.174 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 2.8 t-80 -79.27 -43.47 23.63 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.407 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.3 pp -71.43 -43.88 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -61.32 -36.47 80.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 121.189 -0.205 . . . . 0.0 111.352 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.4 ttm180 -45.7 -50.4 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.867 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 m -53.51 -36.65 61.96 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -71.21 -24.2 62.17 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.4 pp -108.95 -33.04 7.04 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -69.39 -11.93 61.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.135 0.493 . . . . 0.0 112.224 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ALA . 4.3 pp -70.35 -37.85 74.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.908 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -53.01 -59.0 5.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.008 0.433 . . . . 0.0 111.336 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -59.87 -49.88 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -54.94 -48.8 72.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.137 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -55.81 -52.82 62.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.2 t -54.44 -42.66 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.016 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.87 -49.23 68.96 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.798 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' GLN . 2.7 ptp85 -78.89 -40.75 31.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.659 0.266 . . . . 0.0 111.121 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 1.6 mt-10 -57.66 -50.61 72.59 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.847 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' SER . 3.3 ptm180 -52.23 -34.34 45.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.647 0.26 . . . . 0.0 111.398 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.99 -39.06 26.55 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.711 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.5 mm-40 -69.76 -52.84 21.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.364 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.31 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -45.27 86.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.32 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.5 ptm180 -78.53 -33.29 48.06 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.87 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.69 -50.01 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.88 -29.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.238 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.26 -32.22 16.17 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 5.79 7.73 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 t 74.95 62.87 0.06 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.242 0.544 . . . . 0.0 111.31 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 stop_ save_